@cyanheads/pubchem-mcp-server 0.1.17 → 0.1.18
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/README.md +1 -1
- package/dist/mcp-server/tools/definitions/get-bioactivity.tool.d.ts.map +1 -1
- package/dist/mcp-server/tools/definitions/get-bioactivity.tool.js +7 -6
- package/dist/mcp-server/tools/definitions/get-bioactivity.tool.js.map +1 -1
- package/dist/mcp-server/tools/definitions/get-compound-details.tool.d.ts.map +1 -1
- package/dist/mcp-server/tools/definitions/get-compound-details.tool.js +15 -31
- package/dist/mcp-server/tools/definitions/get-compound-details.tool.js.map +1 -1
- package/dist/mcp-server/tools/definitions/get-compound-image.tool.d.ts.map +1 -1
- package/dist/mcp-server/tools/definitions/get-compound-image.tool.js +6 -2
- package/dist/mcp-server/tools/definitions/get-compound-image.tool.js.map +1 -1
- package/dist/mcp-server/tools/definitions/get-compound-safety.tool.d.ts.map +1 -1
- package/dist/mcp-server/tools/definitions/get-compound-safety.tool.js +6 -4
- package/dist/mcp-server/tools/definitions/get-compound-safety.tool.js.map +1 -1
- package/dist/mcp-server/tools/definitions/get-compound-xrefs.tool.d.ts.map +1 -1
- package/dist/mcp-server/tools/definitions/get-compound-xrefs.tool.js +11 -9
- package/dist/mcp-server/tools/definitions/get-compound-xrefs.tool.js.map +1 -1
- package/dist/mcp-server/tools/definitions/get-summary.tool.d.ts +1 -2
- package/dist/mcp-server/tools/definitions/get-summary.tool.d.ts.map +1 -1
- package/dist/mcp-server/tools/definitions/get-summary.tool.js +3 -9
- package/dist/mcp-server/tools/definitions/get-summary.tool.js.map +1 -1
- package/dist/mcp-server/tools/definitions/index.d.ts +3 -3
- package/dist/mcp-server/tools/definitions/search-assays.tool.js +6 -8
- package/dist/mcp-server/tools/definitions/search-assays.tool.js.map +1 -1
- package/dist/mcp-server/tools/definitions/search-compounds.tool.d.ts +3 -3
- package/dist/mcp-server/tools/definitions/search-compounds.tool.d.ts.map +1 -1
- package/dist/mcp-server/tools/definitions/search-compounds.tool.js +14 -23
- package/dist/mcp-server/tools/definitions/search-compounds.tool.js.map +1 -1
- package/dist/services/pubchem/pubchem-client.d.ts.map +1 -1
- package/dist/services/pubchem/pubchem-client.js +17 -43
- package/dist/services/pubchem/pubchem-client.js.map +1 -1
- package/package.json +2 -2
- package/server.json +3 -3
package/README.md
CHANGED
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@@ -6,7 +6,7 @@
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<div align="center">
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[](./CHANGELOG.md) [](https://www.npmjs.com/package/@cyanheads/mcp-ts-core) [](https://modelcontextprotocol.io/) [](./LICENSE) [](https://www.typescriptlang.org/) [](https://bun.sh/)
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</div>
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-
{"version":3,"file":"get-bioactivity.tool.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/get-bioactivity.tool.ts"],"names":[],"mappings":"AAAA;;;;GAIG;AAEH,OAAO,EAAQ,CAAC,EAAE,MAAM,wBAAwB,CAAC;AAGjD,eAAO,MAAM,cAAc;;;;;;;;;;;;;;;;;;;;;;;;;
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{"version":3,"file":"get-bioactivity.tool.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/get-bioactivity.tool.ts"],"names":[],"mappings":"AAAA;;;;GAIG;AAEH,OAAO,EAAQ,CAAC,EAAE,MAAM,wBAAwB,CAAC;AAGjD,eAAO,MAAM,cAAc;;;;;;;;;;;;;;;;;;;;;;;;;6BAuIzB,CAAC"}
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@@ -7,21 +7,22 @@ import { tool, z } from '@cyanheads/mcp-ts-core';
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import { getPubChemClient } from '../../../services/pubchem/pubchem-client.js';
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export const getBioactivity = tool('pubchem_get_bioactivity', {
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title: 'Get Bioactivity',
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description: "Get a compound's bioactivity profile: which assays tested it, activity outcomes "
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'(Active/Inactive/Inconclusive), target information (gene symbols, protein names), ' +
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'and quantitative values (IC50, EC50, Ki, etc.). Filter by outcome to focus on active results.',
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description: "Get a compound's bioactivity profile: which assays tested it, activity outcomes (Active/Inactive/Inconclusive), target identifiers (NCBI Gene ID, UniProt/GenBank accession), and quantitative values (IC50, EC50, Ki, etc.). Filter by outcome to focus on active results.",
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annotations: {
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readOnlyHint: true,
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idempotentHint: true,
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openWorldHint: true,
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},
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input: z.object({
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cid: z
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cid: z
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.number()
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.int()
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.positive()
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.describe('PubChem Compound ID. Resolve from name/SMILES with pubchem_search_compounds.'),
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outcomeFilter: z
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.enum(['active', 'inactive', 'all'])
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.default('all')
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.describe('Filter by activity outcome. "active" shows only assays where the compound showed activity — '
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'most useful for understanding biological profile. Default: "all".'),
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.describe('Filter by activity outcome. "active" shows only assays where the compound showed activity — most useful for understanding biological profile. Default: "all".'),
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maxResults: z
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.number()
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.min(1)
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{"version":3,"file":"get-bioactivity.tool.js","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/get-bioactivity.tool.ts"],"names":[],"mappings":"AAAA;;;;GAIG;AAEH,OAAO,EAAE,IAAI,EAAE,CAAC,EAAE,MAAM,wBAAwB,CAAC;AACjD,OAAO,EAAE,gBAAgB,EAAE,MAAM,sCAAsC,CAAC;AAExE,MAAM,CAAC,MAAM,cAAc,GAAG,IAAI,CAAC,yBAAyB,EAAE;IAC5D,KAAK,EAAE,iBAAiB;IACxB,WAAW,EACT,
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{"version":3,"file":"get-bioactivity.tool.js","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/get-bioactivity.tool.ts"],"names":[],"mappings":"AAAA;;;;GAIG;AAEH,OAAO,EAAE,IAAI,EAAE,CAAC,EAAE,MAAM,wBAAwB,CAAC;AACjD,OAAO,EAAE,gBAAgB,EAAE,MAAM,sCAAsC,CAAC;AAExE,MAAM,CAAC,MAAM,cAAc,GAAG,IAAI,CAAC,yBAAyB,EAAE;IAC5D,KAAK,EAAE,iBAAiB;IACxB,WAAW,EACT,6QAA6Q;IAC/Q,WAAW,EAAE;QACX,YAAY,EAAE,IAAI;QAClB,cAAc,EAAE,IAAI;QACpB,aAAa,EAAE,IAAI;KACpB;IACD,KAAK,EAAE,CAAC,CAAC,MAAM,CAAC;QACd,GAAG,EAAE,CAAC;aACH,MAAM,EAAE;aACR,GAAG,EAAE;aACL,QAAQ,EAAE;aACV,QAAQ,CAAC,8EAA8E,CAAC;QAC3F,aAAa,EAAE,CAAC;aACb,IAAI,CAAC,CAAC,QAAQ,EAAE,UAAU,EAAE,KAAK,CAAC,CAAC;aACnC,OAAO,CAAC,KAAK,CAAC;aACd,QAAQ,CACP,+JAA+J,CAChK;QACH,UAAU,EAAE,CAAC;aACV,MAAM,EAAE;aACR,GAAG,CAAC,CAAC,CAAC;aACN,GAAG,CAAC,GAAG,CAAC;aACR,OAAO,CAAC,EAAE,CAAC;aACX,QAAQ,CACP,qGAAqG,CACtG;KACJ,CAAC;IACF,MAAM,EAAE,CAAC,CAAC,MAAM,CAAC;QACf,GAAG,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,sBAAsB,CAAC;QAChD,WAAW,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,wCAAwC,CAAC;QAC1E,WAAW,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,+BAA+B,CAAC;QACjE,aAAa,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,iCAAiC,CAAC;QACrE,OAAO,EAAE,CAAC;aACP,KAAK,CACJ,CAAC;aACE,MAAM,CAAC;YACN,GAAG,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,mBAAmB,CAAC;YAC7C,SAAS,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,mBAAmB,CAAC;YACnD,OAAO,EAAE,CAAC;iBACP,MAAM,EAAE;iBACR,QAAQ,CAAC,gEAAgE,CAAC;YAC7E,eAAe,EAAE,CAAC;iBACf,MAAM,EAAE;iBACR,QAAQ,EAAE;iBACV,QAAQ,CAAC,6CAA6C,CAAC;YAC1D,YAAY,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,sBAAsB,CAAC;YACpE,cAAc,EAAE,CAAC;iBACd,KAAK,CACJ,CAAC;iBACE,MAAM,CAAC;gBACN,IAAI,EAAE,CAAC;qBACJ,MAAM,EAAE;qBACR,QAAQ,EAAE;qBACV,QAAQ,CACP,oEAAoE,CACrE;gBACH,KAAK,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,iBAAiB,CAAC;gBAC7C,IAAI,EAAE,CAAC;qBACJ,MAAM,EAAE;qBACR,QAAQ,EAAE;qBACV,QAAQ,CAAC,+DAA+D,CAAC;aAC7E,CAAC;iBACD,QAAQ,CAAC,0CAA0C,CAAC,CACxD;iBACA,QAAQ,CAAC,qCAAqC,CAAC;SACnD,CAAC;aACD,QAAQ,CAAC,qBAAqB,CAAC,CACnC;aACA,QAAQ,CAAC,oCAAoC,CAAC;KAClD,CAAC;IAEF,KAAK,CAAC,OAAO,CAAC,KAAK,EAAE,GAAG;QACtB,MAAM,MAAM,GAAG,gBAAgB,EAAE,CAAC;QAClC,MAAM,OAAO,GAAG,MAAM,MAAM,CAAC,eAAe,CAAC,KAAK,CAAC,GAAG,CAAC,CAAC;QAExD,MAAM,WAAW,GAAG,OAAO,CAAC,MAAM,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,OAAO,KAAK,QAAQ,CAAC,CAAC,MAAM,CAAC;QACzE,MAAM,aAAa,GAAG,OAAO,CAAC,MAAM,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,OAAO,KAAK,UAAU,CAAC,CAAC,MAAM,CAAC;QAE7E,oBAAoB;QACpB,IAAI,QAAQ,GAAG,OAAO,CAAC;QACvB,IAAI,KAAK,CAAC,aAAa,KAAK,QAAQ,EAAE,CAAC;YACrC,QAAQ,GAAG,OAAO,CAAC,MAAM,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,OAAO,KAAK,QAAQ,CAAC,CAAC;QAC3D,CAAC;aAAM,IAAI,KAAK,CAAC,aAAa,KAAK,UAAU,EAAE,CAAC;YAC9C,QAAQ,GAAG,OAAO,CAAC,MAAM,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,OAAO,KAAK,UAAU,CAAC,CAAC;QAC7D,CAAC;QAED,MAAM,OAAO,GAAG,QAAQ,CAAC,KAAK,CAAC,CAAC,EAAE,KAAK,CAAC,UAAU,CAAC,CAAC;QAEpD,GAAG,CAAC,GAAG,CAAC,IAAI,CAAC,qBAAqB,EAAE;YAClC,GAAG,EAAE,KAAK,CAAC,GAAG;YACd,KAAK,EAAE,OAAO,CAAC,MAAM;YACrB,MAAM,EAAE,WAAW;YACnB,QAAQ,EAAE,OAAO,CAAC,MAAM;SACzB,CAAC,CAAC;QAEH,OAAO;YACL,GAAG,EAAE,KAAK,CAAC,GAAG;YACd,WAAW,EAAE,OAAO,CAAC,MAAM;YAC3B,WAAW;YACX,aAAa;YACb,OAAO;SACR,CAAC;IACJ,CAAC;IAED,MAAM,CAAC,MAAM;QACX,MAAM,KAAK,GAAa;YACtB,wBAAwB,MAAM,CAAC,GAAG,EAAE;YACpC,iBAAiB,MAAM,CAAC,WAAW,cAAc,MAAM,CAAC,WAAW,gBAAgB,MAAM,CAAC,aAAa,EAAE;YACzG,EAAE;SACH,CAAC;QAEF,IAAI,MAAM,CAAC,OAAO,CAAC,MAAM,KAAK,CAAC,EAAE,CAAC;YAChC,KAAK,CAAC,IAAI,CAAC,4BAA4B,CAAC,CAAC;YACzC,OAAO,CAAC,EAAE,IAAI,EAAE,MAAM,EAAE,IAAI,EAAE,KAAK,CAAC,IAAI,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;QACpD,CAAC;QAED,KAAK,MAAM,CAAC,IAAI,MAAM,CAAC,OAAO,EAAE,CAAC;YAC/B,MAAM,MAAM,GAAG,CAAC,CAAC,CAAC,YAAY,CAAC,CAAC,CAAC,UAAU,CAAC,CAAC,YAAY,EAAE,CAAC,CAAC,CAAC,SAAS,EAAE,CAAC,CAAC,eAAe,CAAC;iBACxF,MAAM,CAAC,OAAO,CAAC;iBACf,IAAI,CAAC,KAAK,CAAC,CAAC;YACf,KAAK,CAAC,IAAI,CAAC,SAAS,CAAC,CAAC,GAAG,QAAQ,CAAC,CAAC,SAAS,KAAK,CAAC,CAAC,OAAO,GAAG,CAAC,CAAC;YAC/D,IAAI,MAAM;gBAAE,KAAK,CAAC,IAAI,CAAC,aAAa,MAAM,EAAE,CAAC,CAAC;YAC9C,KAAK,MAAM,EAAE,IAAI,CAAC,CAAC,cAAc,EAAE,CAAC;gBAClC,MAAM,KAAK,GAAG,EAAE,CAAC,IAAI,IAAI,OAAO,CAAC;gBACjC,MAAM,IAAI,GAAG,EAAE,CAAC,IAAI,IAAI,EAAE,CAAC;gBAC3B,KAAK,CAAC,IAAI,CAAC,KAAK,KAAK,KAAK,EAAE,CAAC,KAAK,GAAG,IAAI,CAAC,CAAC,CAAC,IAAI,IAAI,EAAE,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC;YACjE,CAAC;YACD,KAAK,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;QACjB,CAAC;QAED,OAAO,CAAC,EAAE,IAAI,EAAE,MAAM,EAAE,IAAI,EAAE,KAAK,CAAC,IAAI,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;IACpD,CAAC;CACF,CAAC,CAAC"}
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{"version":3,"file":"get-compound-details.tool.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/get-compound-details.tool.ts"],"names":[],"mappings":"AAAA;;;;GAIG;AAEH,OAAO,EAAQ,CAAC,EAAE,MAAM,wBAAwB,CAAC;AA2GjD,eAAO,MAAM,kBAAkB;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
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{"version":3,"file":"get-compound-details.tool.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/get-compound-details.tool.ts"],"names":[],"mappings":"AAAA;;;;GAIG;AAEH,OAAO,EAAQ,CAAC,EAAE,MAAM,wBAAwB,CAAC;AA2GjD,eAAO,MAAM,kBAAkB;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;6BAgX7B,CAAC"}
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.object({
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hba: drugLikenessRuleSchema.describe('HBond acceptor count rule (≤10).'),
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hbd: drugLikenessRuleSchema.describe('HBond donor count rule (≤5).'),
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mw: drugLikenessRuleSchema.describe('Molecular weight rule (≤500).'),
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mw: drugLikenessRuleSchema.describe('Molecular weight rule (≤500 g/mol).'),
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violations: z.number().describe('Number of Lipinski violations (0-4).'),
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xLogP: drugLikenessRuleSchema.describe('XLogP rule (≤5).'),
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xLogP: drugLikenessRuleSchema.describe('XLogP rule (≤5; calculated logP).'),
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})
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.object({
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tpsa: drugLikenessRuleSchema.describe('Topological polar surface area rule (≤140 Ų).'),
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// ── Tool definition ────────────────────────────────────────────────────
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export const getCompoundDetails = tool('pubchem_get_compound_details', {
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title: 'Get Compound Details',
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description: 'Get detailed compound information by CID. Returns physicochemical properties '
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'(molecular weight, SMILES, InChIKey, XLogP, TPSA, etc.), optionally with a textual ' +
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'(FDA classes, MeSH classes, ATC codes). Efficiently batches up to 100 CIDs.',
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description: 'Get detailed compound information by CID. Returns physicochemical properties (molecular weight, SMILES, InChIKey, XLogP, TPSA, etc.), optionally with a textual description (pharmacology, mechanism, therapeutic use), all known synonyms, drug-likeness assessment (Lipinski/Veber rules), and/or pharmacological classification (FDA classes, MeSH classes, ATC codes). Efficiently batches up to 100 CIDs.',
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.array(z.number().int().positive())
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.min(1)
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.max(100)
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.describe('PubChem Compound IDs to fetch (1-100). Batched efficiently.'),
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.describe('PubChem Compound IDs to fetch (1-100). Batched efficiently. Resolve from names/SMILES with pubchem_search_compounds.'),
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.describe('Properties to retrieve. Defaults to a core set: MolecularFormula, MolecularWeight, '
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'HBondAcceptorCount, RotatableBondCount, HeavyAtomCount, Charge, Complexity.'),
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.describe('Properties to retrieve. Defaults to a core set: MolecularFormula, MolecularWeight, IUPACName, CanonicalSMILES, IsomericSMILES, InChIKey, XLogP, TPSA, HBondDonorCount, HBondAcceptorCount, RotatableBondCount, HeavyAtomCount, Charge, Complexity.'),
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.boolean()
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.default(false)
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.describe('Include textual descriptions (pharmacology, mechanism, therapeutic use) attributed by source. '
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'Slower when enabled — prefer small CID batches.'),
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.describe('Include textual descriptions (pharmacology, mechanism, therapeutic use) attributed by source. Well-studied compounds have many overlapping summaries — capped via maxDescriptions. Fetched only for the first 10 CIDs in the batch; remaining CIDs return without descriptions.'),
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.number()
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.int()
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.min(1)
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.max(20)
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.default(3)
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.describe('Max number of distinct description entries per compound (1-20). PubChem returns near-duplicate '
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'summaries from many depositors; we dedup and cap to keep responses focused. Default: 3.'),
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.describe('Max number of distinct description entries per compound (1-20). PubChem returns near-duplicate summaries from many depositors; we dedup and cap to keep responses focused. Default: 3.'),
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includeSynonyms: z
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.boolean()
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.default(false)
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137
|
-
.describe('Fetch all known names and synonyms (trade names, systematic names, registry numbers).'),
|
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128
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+
.describe('Fetch all known names and synonyms (trade names, systematic names, registry numbers). One API call per CID — slower than the property batch for large CID lists.'),
|
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138
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includeDrugLikeness: z
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139
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.boolean()
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140
131
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.default(false)
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-
.describe('Compute drug-likeness assessment: Lipinski Rule of Five (MW, XLogP, HBD, HBA) and '
|
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142
|
-
'Veber rules (TPSA, rotatable bonds). No extra API calls — computed from properties.'),
|
|
132
|
+
.describe('Compute drug-likeness assessment: Lipinski Rule of Five (MW, XLogP, HBD, HBA) and Veber rules (TPSA, rotatable bonds). No extra API calls — computed from properties.'),
|
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143
133
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includeClassification: z
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|
144
134
|
.boolean()
|
|
145
135
|
.default(false)
|
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146
|
-
.describe('Include pharmacological classification: FDA Established Pharmacologic Classes, '
|
|
147
|
-
'mechanisms of action, MeSH classes, and ATC codes. ' +
|
|
148
|
-
'Slower when enabled — prefer small CID batches.'),
|
|
136
|
+
.describe('Include pharmacological classification: FDA Established Pharmacologic Classes, mechanisms of action, MeSH classes, and ATC codes. Fetched only for the first 10 CIDs in the batch; remaining CIDs return without classification.'),
|
|
149
137
|
}),
|
|
150
138
|
output: z.object({
|
|
151
139
|
compounds: z
|
|
@@ -157,7 +145,7 @@ export const getCompoundDetails = tool('pubchem_get_compound_details', {
|
|
|
157
145
|
.describe('False when the CID does not exist in PubChem (properties, description, etc. are empty).'),
|
|
158
146
|
properties: z
|
|
159
147
|
.record(z.string(), z.unknown())
|
|
160
|
-
.describe('
|
|
148
|
+
.describe('Physicochemical properties keyed by name (echoes input.properties or the default core set; drug-likeness inputs are appended automatically when includeDrugLikeness is true).'),
|
|
161
149
|
descriptions: z
|
|
162
150
|
.array(z
|
|
163
151
|
.object({
|
|
@@ -169,13 +157,11 @@ export const getCompoundDetails = tool('pubchem_get_compound_details', {
|
|
|
169
157
|
})
|
|
170
158
|
.describe('Description entry with optional source attribution.'))
|
|
171
159
|
.optional()
|
|
172
|
-
.describe('Textual descriptions, deduplicated and capped at maxDescriptions. Each entry carries '
|
|
173
|
-
'optional source attribution.'),
|
|
160
|
+
.describe('Textual descriptions, deduplicated and capped at maxDescriptions. Each entry carries optional source attribution.'),
|
|
174
161
|
descriptionsTotal: z
|
|
175
162
|
.number()
|
|
176
163
|
.optional()
|
|
177
|
-
.describe('Total distinct descriptions available before truncation. Larger than descriptions.length '
|
|
178
|
-
'when more sources exist — increase maxDescriptions to see them.'),
|
|
164
|
+
.describe('Total distinct descriptions available before truncation. Larger than descriptions.length when more sources exist — increase maxDescriptions to see them.'),
|
|
179
165
|
synonyms: z.array(z.string()).optional().describe('Known names and synonyms.'),
|
|
180
166
|
drugLikeness: drugLikenessSchema
|
|
181
167
|
.optional()
|
|
@@ -246,9 +232,7 @@ export const getCompoundDetails = tool('pubchem_get_compound_details', {
|
|
|
246
232
|
});
|
|
247
233
|
const compounds = input.cids.map((cid) => {
|
|
248
234
|
const found = isFound(cid);
|
|
249
|
-
const
|
|
250
|
-
const properties = { ...rawProps };
|
|
251
|
-
delete properties.CID;
|
|
235
|
+
const { CID: _CID, ...properties } = propsMap.get(cid) ?? { CID: cid };
|
|
252
236
|
const compound = { cid, found, properties };
|
|
253
237
|
// Skip enrichment for CIDs not in PubChem — properties is already empty.
|
|
254
238
|
if (!found)
|
|
@@ -1 +1 @@
|
|
|
1
|
-
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1
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+
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-
{"version":3,"file":"get-compound-image.tool.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/get-compound-image.tool.ts"],"names":[],"mappings":"AAAA;;;GAGG;AAEH,OAAO,EAAQ,CAAC,EAAE,MAAM,wBAAwB,CAAC;AAGjD,eAAO,MAAM,gBAAgB;;;;;;;;;;;;
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1
|
+
{"version":3,"file":"get-compound-image.tool.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/get-compound-image.tool.ts"],"names":[],"mappings":"AAAA;;;GAGG;AAEH,OAAO,EAAQ,CAAC,EAAE,MAAM,wBAAwB,CAAC;AAGjD,eAAO,MAAM,gBAAgB;;;;;;;;;;;;6BAoD3B,CAAC"}
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@@ -13,7 +13,11 @@ export const getCompoundImage = tool('pubchem_get_compound_image', {
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13
13
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openWorldHint: true,
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14
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},
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15
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input: z.object({
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-
cid: z
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+
cid: z
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+
.number()
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.int()
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19
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+
.positive()
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20
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+
.describe('PubChem Compound ID. Resolve from name/SMILES with pubchem_search_compounds.'),
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21
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size: z
|
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18
22
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.enum(['small', 'large'])
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19
23
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.default('large')
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@@ -22,7 +26,7 @@ export const getCompoundImage = tool('pubchem_get_compound_image', {
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26
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output: z.object({
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27
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cid: z.number().describe('PubChem Compound ID.'),
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28
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imageBase64: z.string().describe('Base64-encoded PNG image data.'),
|
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25
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-
mimeType: z.string().describe('
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29
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+
mimeType: z.string().describe('MIME type — always "image/png".'),
|
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26
30
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width: z.number().describe('Image width in pixels.'),
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31
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height: z.number().describe('Image height in pixels.'),
|
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28
32
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}),
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@@ -1 +1 @@
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1
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-
{"version":3,"file":"get-compound-image.tool.js","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/get-compound-image.tool.ts"],"names":[],"mappings":"AAAA;;;GAGG;AAEH,OAAO,EAAE,IAAI,EAAE,CAAC,EAAE,MAAM,wBAAwB,CAAC;AACjD,OAAO,EAAE,gBAAgB,EAAE,MAAM,sCAAsC,CAAC;AAExE,MAAM,CAAC,MAAM,gBAAgB,GAAG,IAAI,CAAC,4BAA4B,EAAE;IACjE,KAAK,EAAE,oBAAoB;IAC3B,WAAW,EAAE,iEAAiE;IAC9E,WAAW,EAAE;QACX,YAAY,EAAE,IAAI;QAClB,cAAc,EAAE,IAAI;QACpB,aAAa,EAAE,IAAI;KACpB;IACD,KAAK,EAAE,CAAC,CAAC,MAAM,CAAC;QACd,GAAG,EAAE,CAAC,
|
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1
|
+
{"version":3,"file":"get-compound-image.tool.js","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/get-compound-image.tool.ts"],"names":[],"mappings":"AAAA;;;GAGG;AAEH,OAAO,EAAE,IAAI,EAAE,CAAC,EAAE,MAAM,wBAAwB,CAAC;AACjD,OAAO,EAAE,gBAAgB,EAAE,MAAM,sCAAsC,CAAC;AAExE,MAAM,CAAC,MAAM,gBAAgB,GAAG,IAAI,CAAC,4BAA4B,EAAE;IACjE,KAAK,EAAE,oBAAoB;IAC3B,WAAW,EAAE,iEAAiE;IAC9E,WAAW,EAAE;QACX,YAAY,EAAE,IAAI;QAClB,cAAc,EAAE,IAAI;QACpB,aAAa,EAAE,IAAI;KACpB;IACD,KAAK,EAAE,CAAC,CAAC,MAAM,CAAC;QACd,GAAG,EAAE,CAAC;aACH,MAAM,EAAE;aACR,GAAG,EAAE;aACL,QAAQ,EAAE;aACV,QAAQ,CAAC,8EAA8E,CAAC;QAC3F,IAAI,EAAE,CAAC;aACJ,IAAI,CAAC,CAAC,OAAO,EAAE,OAAO,CAAC,CAAC;aACxB,OAAO,CAAC,OAAO,CAAC;aAChB,QAAQ,CAAC,uEAAuE,CAAC;KACrF,CAAC;IACF,MAAM,EAAE,CAAC,CAAC,MAAM,CAAC;QACf,GAAG,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,sBAAsB,CAAC;QAChD,WAAW,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,gCAAgC,CAAC;QAClE,QAAQ,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,iCAAiC,CAAC;QAChE,KAAK,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,wBAAwB,CAAC;QACpD,MAAM,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,yBAAyB,CAAC;KACvD,CAAC;IAEF,KAAK,CAAC,OAAO,CAAC,KAAK,EAAE,GAAG;QACtB,MAAM,MAAM,GAAG,gBAAgB,EAAE,CAAC;QAClC,MAAM,MAAM,GAAG,MAAM,MAAM,CAAC,QAAQ,CAAC,KAAK,CAAC,GAAG,EAAE,KAAK,CAAC,IAAI,CAAC,CAAC;QAC5D,MAAM,GAAG,GAAG,KAAK,CAAC,IAAI,KAAK,OAAO,CAAC,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC,GAAG,CAAC;QAE/C,GAAG,CAAC,GAAG,CAAC,IAAI,CAAC,eAAe,EAAE,EAAE,GAAG,EAAE,KAAK,CAAC,GAAG,EAAE,IAAI,EAAE,KAAK,CAAC,IAAI,EAAE,KAAK,EAAE,MAAM,CAAC,UAAU,EAAE,CAAC,CAAC;QAE9F,OAAO;YACL,GAAG,EAAE,KAAK,CAAC,GAAG;YACd,WAAW,EAAE,MAAM,CAAC,IAAI,CAAC,MAAM,CAAC,CAAC,QAAQ,CAAC,QAAQ,CAAC;YACnD,QAAQ,EAAE,WAAW;YACrB,KAAK,EAAE,GAAG;YACV,MAAM,EAAE,GAAG;SACZ,CAAC;IACJ,CAAC;IAED,MAAM,CAAC,MAAM;QACX,OAAO;YACL,EAAE,IAAI,EAAE,OAAO,EAAE,IAAI,EAAE,MAAM,CAAC,WAAW,EAAE,QAAQ,EAAE,MAAM,CAAC,QAAQ,EAAE;YACtE;gBACE,IAAI,EAAE,MAAM;gBACZ,IAAI,EAAE,wBAAwB,MAAM,CAAC,GAAG,KAAK,MAAM,CAAC,KAAK,IAAI,MAAM,CAAC,MAAM,GAAG;aAC9E;SACF,CAAC;IACJ,CAAC;CACF,CAAC,CAAC"}
|
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@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"get-compound-safety.tool.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/get-compound-safety.tool.ts"],"names":[],"mappings":"AAAA;;;GAGG;AAEH,OAAO,EAAQ,CAAC,EAAE,MAAM,wBAAwB,CAAC;AAGjD,eAAO,MAAM,iBAAiB;;;;;;;;;;;;;;;;;;
|
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1
|
+
{"version":3,"file":"get-compound-safety.tool.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/get-compound-safety.tool.ts"],"names":[],"mappings":"AAAA;;;GAGG;AAEH,OAAO,EAAQ,CAAC,EAAE,MAAM,wBAAwB,CAAC;AAGjD,eAAO,MAAM,iBAAiB;;;;;;;;;;;;;;;;;;6BAyG5B,CAAC"}
|
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@@ -6,16 +6,18 @@ import { tool, z } from '@cyanheads/mcp-ts-core';
|
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6
6
|
import { getPubChemClient } from '../../../services/pubchem/pubchem-client.js';
|
|
7
7
|
export const getCompoundSafety = tool('pubchem_get_compound_safety', {
|
|
8
8
|
title: 'Get Compound Safety',
|
|
9
|
-
description: 'Get GHS (Globally Harmonized System) hazard classification and safety data for a compound. '
|
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10
|
-
'Returns signal word, pictograms, hazard statements (H-codes), and precautionary statements (P-codes). ' +
|
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11
|
-
'Data sourced from PubChem depositors — source attribution included.',
|
|
9
|
+
description: 'Get GHS (Globally Harmonized System) hazard classification and safety data for a compound. Returns signal word, pictograms, hazard statements (H-codes), and precautionary statements (P-codes). Data sourced from PubChem depositors — source attribution included.',
|
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12
10
|
annotations: {
|
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13
11
|
readOnlyHint: true,
|
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14
12
|
idempotentHint: true,
|
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15
13
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openWorldHint: true,
|
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16
14
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},
|
|
17
15
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input: z.object({
|
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18
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-
cid: z
|
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16
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+
cid: z
|
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17
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+
.number()
|
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18
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+
.int()
|
|
19
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+
.positive()
|
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20
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+
.describe('PubChem Compound ID. Resolve from name/SMILES with pubchem_search_compounds.'),
|
|
19
21
|
}),
|
|
20
22
|
output: z.object({
|
|
21
23
|
cid: z.number().describe('PubChem Compound ID.'),
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"get-compound-safety.tool.js","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/get-compound-safety.tool.ts"],"names":[],"mappings":"AAAA;;;GAGG;AAEH,OAAO,EAAE,IAAI,EAAE,CAAC,EAAE,MAAM,wBAAwB,CAAC;AACjD,OAAO,EAAE,gBAAgB,EAAE,MAAM,sCAAsC,CAAC;AAExE,MAAM,CAAC,MAAM,iBAAiB,GAAG,IAAI,CAAC,6BAA6B,EAAE;IACnE,KAAK,EAAE,qBAAqB;IAC5B,WAAW,EACT,
|
|
1
|
+
{"version":3,"file":"get-compound-safety.tool.js","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/get-compound-safety.tool.ts"],"names":[],"mappings":"AAAA;;;GAGG;AAEH,OAAO,EAAE,IAAI,EAAE,CAAC,EAAE,MAAM,wBAAwB,CAAC;AACjD,OAAO,EAAE,gBAAgB,EAAE,MAAM,sCAAsC,CAAC;AAExE,MAAM,CAAC,MAAM,iBAAiB,GAAG,IAAI,CAAC,6BAA6B,EAAE;IACnE,KAAK,EAAE,qBAAqB;IAC5B,WAAW,EACT,sQAAsQ;IACxQ,WAAW,EAAE;QACX,YAAY,EAAE,IAAI;QAClB,cAAc,EAAE,IAAI;QACpB,aAAa,EAAE,IAAI;KACpB;IACD,KAAK,EAAE,CAAC,CAAC,MAAM,CAAC;QACd,GAAG,EAAE,CAAC;aACH,MAAM,EAAE;aACR,GAAG,EAAE;aACL,QAAQ,EAAE;aACV,QAAQ,CAAC,8EAA8E,CAAC;KAC5F,CAAC;IACF,MAAM,EAAE,CAAC,CAAC,MAAM,CAAC;QACf,GAAG,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,sBAAsB,CAAC;QAChD,OAAO,EAAE,CAAC,CAAC,OAAO,EAAE,CAAC,QAAQ,CAAC,yDAAyD,CAAC;QACxF,GAAG,EAAE,CAAC;aACH,MAAM,CAAC;YACN,UAAU,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,yCAAyC,CAAC;YACrF,UAAU,EAAE,CAAC;iBACV,KAAK,CAAC,CAAC,CAAC,MAAM,EAAE,CAAC;iBACjB,QAAQ,CAAC,mDAAmD,CAAC;YAChE,gBAAgB,EAAE,CAAC;iBAChB,KAAK,CACJ,CAAC;iBACE,MAAM,CAAC;gBACN,IAAI,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,uBAAuB,CAAC;gBAClD,SAAS,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,wBAAwB,CAAC;aACzD,CAAC;iBACD,QAAQ,CAAC,6BAA6B,CAAC,CAC3C;iBACA,QAAQ,CAAC,wBAAwB,CAAC;YACrC,uBAAuB,EAAE,CAAC;iBACvB,KAAK,CACJ,CAAC;iBACE,MAAM,CAAC;gBACN,IAAI,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,uBAAuB,CAAC;gBAClD,SAAS,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,+BAA+B,CAAC;aAChE,CAAC;iBACD,QAAQ,CAAC,oCAAoC,CAAC,CAClD;iBACA,QAAQ,CAAC,+BAA+B,CAAC;SAC7C,CAAC;aACD,QAAQ,EAAE;aACV,QAAQ,CAAC,0BAA0B,CAAC;QACvC,MAAM,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,0BAA0B,CAAC;KACnE,CAAC;IAEF,KAAK,CAAC,OAAO,CAAC,KAAK,EAAE,GAAG;QACtB,MAAM,MAAM,GAAG,gBAAgB,EAAE,CAAC;QAClC,MAAM,IAAI,GAAG,MAAM,MAAM,CAAC,aAAa,CAAC,KAAK,CAAC,GAAG,CAAC,CAAC;QAEnD,GAAG,CAAC,GAAG,CAAC,IAAI,CAAC,qBAAqB,EAAE,EAAE,GAAG,EAAE,KAAK,CAAC,GAAG,EAAE,OAAO,EAAE,IAAI,KAAK,IAAI,EAAE,CAAC,CAAC;QAEhF,IAAI,CAAC,IAAI,EAAE,CAAC;YACV,OAAO,EAAE,GAAG,EAAE,KAAK,CAAC,GAAG,EAAE,OAAO,EAAE,KAAK,EAAE,CAAC;QAC5C,CAAC;QAED,OAAO;YACL,GAAG,EAAE,KAAK,CAAC,GAAG;YACd,OAAO,EAAE,IAAI;YACb,GAAG,EAAE;gBACH,UAAU,EAAE,IAAI,CAAC,UAAU;gBAC3B,UAAU,EAAE,IAAI,CAAC,UAAU;gBAC3B,gBAAgB,EAAE,IAAI,CAAC,gBAAgB;gBACvC,uBAAuB,EAAE,IAAI,CAAC,uBAAuB;aACtD;YACD,MAAM,EAAE,IAAI,CAAC,MAAM;SACpB,CAAC;IACJ,CAAC;IAED,MAAM,CAAC,MAAM;QACX,IAAI,CAAC,MAAM,CAAC,OAAO,IAAI,CAAC,MAAM,CAAC,GAAG,EAAE,CAAC;YACnC,OAAO,CAAC,EAAE,IAAI,EAAE,MAAM,EAAE,IAAI,EAAE,wCAAwC,MAAM,CAAC,GAAG,GAAG,EAAE,CAAC,CAAC;QACzF,CAAC;QAED,MAAM,KAAK,GAAa,CAAC,4BAA4B,MAAM,CAAC,GAAG,EAAE,EAAE,EAAE,CAAC,CAAC;QACvE,MAAM,CAAC,GAAG,MAAM,CAAC,GAAG,CAAC;QAErB,IAAI,CAAC,CAAC,UAAU;YAAE,KAAK,CAAC,IAAI,CAAC,oBAAoB,CAAC,CAAC,UAAU,EAAE,CAAC,CAAC;QACjE,IAAI,CAAC,CAAC,UAAU,CAAC,MAAM,GAAG,CAAC;YAAE,KAAK,CAAC,IAAI,CAAC,mBAAmB,CAAC,CAAC,UAAU,CAAC,IAAI,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;QAEtF,IAAI,CAAC,CAAC,gBAAgB,CAAC,MAAM,GAAG,CAAC,EAAE,CAAC;YAClC,KAAK,CAAC,IAAI,CAAC,EAAE,EAAE,wBAAwB,CAAC,CAAC;YACzC,KAAK,MAAM,CAAC,IAAI,CAAC,CAAC,gBAAgB,EAAE,CAAC;gBACnC,KAAK,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC,IAAI,KAAK,CAAC,CAAC,SAAS,EAAE,CAAC,CAAC;YAC5C,CAAC;QACH,CAAC;QAED,IAAI,CAAC,CAAC,uBAAuB,CAAC,MAAM,GAAG,CAAC,EAAE,CAAC;YACzC,KAAK,CAAC,IAAI,CAAC,EAAE,EAAE,+BAA+B,CAAC,CAAC;YAChD,KAAK,MAAM,CAAC,IAAI,CAAC,CAAC,uBAAuB,EAAE,CAAC;gBAC1C,KAAK,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC,IAAI,KAAK,CAAC,CAAC,SAAS,EAAE,CAAC,CAAC;YAC5C,CAAC;QACH,CAAC;QAED,IAAI,MAAM,CAAC,MAAM,EAAE,CAAC;YAClB,KAAK,CAAC,IAAI,CAAC,EAAE,EAAE,YAAY,MAAM,CAAC,MAAM,GAAG,CAAC,CAAC;QAC/C,CAAC;QAED,OAAO,CAAC,EAAE,IAAI,EAAE,MAAM,EAAE,IAAI,EAAE,KAAK,CAAC,IAAI,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;IACpD,CAAC;CACF,CAAC,CAAC"}
|
|
@@ -1 +1 @@
|
|
|
1
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-
{"version":3,"file":"get-compound-xrefs.tool.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/get-compound-xrefs.tool.ts"],"names":[],"mappings":"AAAA;;;GAGG;AAEH,OAAO,EAAQ,CAAC,EAAE,MAAM,wBAAwB,CAAC;AAMjD,eAAO,MAAM,gBAAgB;;;;;;;;;;;;;;
|
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1
|
+
{"version":3,"file":"get-compound-xrefs.tool.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/get-compound-xrefs.tool.ts"],"names":[],"mappings":"AAAA;;;GAGG;AAEH,OAAO,EAAQ,CAAC,EAAE,MAAM,wBAAwB,CAAC;AAMjD,eAAO,MAAM,gBAAgB;;;;;;;;;;;;;;6BAmH3B,CAAC"}
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@@ -8,35 +8,37 @@ import { XREF_TYPES } from '../../../services/pubchem/types.js';
|
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8
8
|
const xrefTypeEnum = z.enum(XREF_TYPES);
|
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9
9
|
export const getCompoundXrefs = tool('pubchem_get_compound_xrefs', {
|
|
10
10
|
title: 'Get Compound Cross-References',
|
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11
|
-
description: 'Get external database cross-references for a compound: PubMed citations, patent IDs, '
|
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12
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-
'gene/protein associations, registry numbers, and taxonomy IDs. Results are capped per ' +
|
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13
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-
'type with total counts reported.',
|
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11
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+
description: 'Get external database cross-references for a compound: PubMed citations, patent IDs, gene/protein associations, registry numbers, and taxonomy IDs. Results are capped per type with total counts reported.',
|
|
14
12
|
annotations: {
|
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15
13
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readOnlyHint: true,
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16
14
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idempotentHint: true,
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17
15
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openWorldHint: true,
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18
16
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},
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17
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input: z.object({
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-
cid: z
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18
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+
cid: z
|
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19
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+
.number()
|
|
20
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+
.int()
|
|
21
|
+
.positive()
|
|
22
|
+
.describe('PubChem Compound ID. Resolve from name/SMILES with pubchem_search_compounds.'),
|
|
21
23
|
xrefTypes: z
|
|
22
24
|
.array(xrefTypeEnum)
|
|
23
25
|
.min(1)
|
|
24
|
-
.describe('Cross-reference types to retrieve.
|
|
25
|
-
'PubMedID, PatentID, GeneID, ProteinGI, TaxonomyID.'),
|
|
26
|
+
.describe('Cross-reference types to retrieve. String IDs: RegistryID (DSSTox/EPA registry numbers), RN (CAS numbers), PatentID. Numeric IDs: PubMedID, GeneID (NCBI Gene), ProteinGI (legacy NCBI Protein GI), TaxonomyID.'),
|
|
26
27
|
maxPerType: z
|
|
27
28
|
.number()
|
|
28
29
|
.min(1)
|
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29
30
|
.max(500)
|
|
30
31
|
.default(50)
|
|
31
|
-
.describe('Max IDs to return per xref type (1-500). A compound may have thousands of PubMed '
|
|
32
|
-
'references — this cap prevents bloat. Total count always reported. Default: 50.'),
|
|
32
|
+
.describe('Max IDs to return per xref type (1-500). A compound may have thousands of PubMed references. Total count always reported. Default: 50.'),
|
|
33
33
|
}),
|
|
34
34
|
output: z.object({
|
|
35
35
|
cid: z.number().describe('PubChem Compound ID.'),
|
|
36
36
|
xrefs: z
|
|
37
37
|
.array(z
|
|
38
38
|
.object({
|
|
39
|
-
type: z
|
|
39
|
+
type: z
|
|
40
|
+
.string()
|
|
41
|
+
.describe('Cross-reference type: RegistryID, RN, PubMedID, PatentID, GeneID, ProteinGI, or TaxonomyID.'),
|
|
40
42
|
ids: z
|
|
41
43
|
.array(z
|
|
42
44
|
.union([
|
|
@@ -1 +1 @@
|
|
|
1
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-
{"version":3,"file":"get-compound-xrefs.tool.js","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/get-compound-xrefs.tool.ts"],"names":[],"mappings":"AAAA;;;GAGG;AAEH,OAAO,EAAE,IAAI,EAAE,CAAC,EAAE,MAAM,wBAAwB,CAAC;AACjD,OAAO,EAAE,gBAAgB,EAAE,MAAM,sCAAsC,CAAC;AACxE,OAAO,EAAE,UAAU,EAAE,MAAM,6BAA6B,CAAC;AAEzD,MAAM,YAAY,GAAG,CAAC,CAAC,IAAI,CAAC,UAA8C,CAAC,CAAC;AAE5E,MAAM,CAAC,MAAM,gBAAgB,GAAG,IAAI,CAAC,4BAA4B,EAAE;IACjE,KAAK,EAAE,+BAA+B;IACtC,WAAW,EACT,
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+
{"version":3,"file":"get-compound-xrefs.tool.js","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/get-compound-xrefs.tool.ts"],"names":[],"mappings":"AAAA;;;GAGG;AAEH,OAAO,EAAE,IAAI,EAAE,CAAC,EAAE,MAAM,wBAAwB,CAAC;AACjD,OAAO,EAAE,gBAAgB,EAAE,MAAM,sCAAsC,CAAC;AACxE,OAAO,EAAE,UAAU,EAAE,MAAM,6BAA6B,CAAC;AAEzD,MAAM,YAAY,GAAG,CAAC,CAAC,IAAI,CAAC,UAA8C,CAAC,CAAC;AAE5E,MAAM,CAAC,MAAM,gBAAgB,GAAG,IAAI,CAAC,4BAA4B,EAAE;IACjE,KAAK,EAAE,+BAA+B;IACtC,WAAW,EACT,6MAA6M;IAC/M,WAAW,EAAE;QACX,YAAY,EAAE,IAAI;QAClB,cAAc,EAAE,IAAI;QACpB,aAAa,EAAE,IAAI;KACpB;IACD,KAAK,EAAE,CAAC,CAAC,MAAM,CAAC;QACd,GAAG,EAAE,CAAC;aACH,MAAM,EAAE;aACR,GAAG,EAAE;aACL,QAAQ,EAAE;aACV,QAAQ,CAAC,8EAA8E,CAAC;QAC3F,SAAS,EAAE,CAAC;aACT,KAAK,CAAC,YAAY,CAAC;aACnB,GAAG,CAAC,CAAC,CAAC;aACN,QAAQ,CACP,iNAAiN,CAClN;QACH,UAAU,EAAE,CAAC;aACV,MAAM,EAAE;aACR,GAAG,CAAC,CAAC,CAAC;aACN,GAAG,CAAC,GAAG,CAAC;aACR,OAAO,CAAC,EAAE,CAAC;aACX,QAAQ,CACP,wIAAwI,CACzI;KACJ,CAAC;IACF,MAAM,EAAE,CAAC,CAAC,MAAM,CAAC;QACf,GAAG,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,sBAAsB,CAAC;QAChD,KAAK,EAAE,CAAC;aACL,KAAK,CACJ,CAAC;aACE,MAAM,CAAC;YACN,IAAI,EAAE,CAAC;iBACJ,MAAM,EAAE;iBACR,QAAQ,CACP,6FAA6F,CAC9F;YACH,GAAG,EAAE,CAAC;iBACH,KAAK,CACJ,CAAC;iBACE,KAAK,CAAC;gBACL,CAAC;qBACE,MAAM,EAAE;qBACR,QAAQ,CAAC,2DAA2D,CAAC;gBACxE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,uDAAuD,CAAC;aAC7E,CAAC;iBACD,QAAQ,CAAC,kEAAkE,CAAC,CAChF;iBACA,QAAQ,CAAC,6CAA6C,CAAC;YAC1D,cAAc,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,wCAAwC,CAAC;YAC7E,SAAS,EAAE,CAAC,CAAC,OAAO,EAAE,CAAC,QAAQ,CAAC,iCAAiC,CAAC;SACnE,CAAC;aACD,QAAQ,CAAC,qCAAqC,CAAC,CACnD;aACA,QAAQ,CAAC,mCAAmC,CAAC;KACjD,CAAC;IAEF,KAAK,CAAC,OAAO,CAAC,KAAK,EAAE,GAAG;QACtB,MAAM,MAAM,GAAG,gBAAgB,EAAE,CAAC;QAElC,iDAAiD;QACjD,MAAM,KAAK,GAKN,EAAE,CAAC;QAER,KAAK,MAAM,QAAQ,IAAI,KAAK,CAAC,SAAS,EAAE,CAAC;YACvC,MAAM,MAAM,GAAG,MAAM,MAAM,CAAC,QAAQ,CAAC,KAAK,CAAC,GAAG,EAAE,QAAQ,CAAC,CAAC;YAC1D,MAAM,cAAc,GAAG,MAAM,CAAC,MAAM,CAAC;YACrC,MAAM,GAAG,GAAG,MAAM,CAAC,KAAK,CAAC,CAAC,EAAE,KAAK,CAAC,UAAU,CAAC,CAAC;YAE9C,KAAK,CAAC,IAAI,CAAC;gBACT,IAAI,EAAE,QAAQ;gBACd,GAAG;gBACH,cAAc;gBACd,SAAS,EAAE,cAAc,GAAG,KAAK,CAAC,UAAU;aAC7C,CAAC,CAAC;QACL,CAAC;QAED,GAAG,CAAC,GAAG,CAAC,IAAI,CAAC,eAAe,EAAE;YAC5B,GAAG,EAAE,KAAK,CAAC,GAAG;YACd,KAAK,EAAE,KAAK,CAAC,SAAS;YACtB,QAAQ,EAAE,KAAK,CAAC,MAAM,CAAC,CAAC,GAAG,EAAE,CAAC,EAAE,EAAE,CAAC,GAAG,GAAG,CAAC,CAAC,GAAG,CAAC,MAAM,EAAE,CAAC,CAAC;SAC1D,CAAC,CAAC;QAEH,OAAO,EAAE,GAAG,EAAE,KAAK,CAAC,GAAG,EAAE,KAAK,EAAE,CAAC;IACnC,CAAC;IAED,MAAM,CAAC,MAAM;QACX,MAAM,KAAK,GAAa,CAAC,4BAA4B,MAAM,CAAC,GAAG,EAAE,EAAE,EAAE,CAAC,CAAC;QAEvE,KAAK,MAAM,IAAI,IAAI,MAAM,CAAC,KAAK,EAAE,CAAC;YAChC,MAAM,SAAS,GAAG,IAAI,CAAC,SAAS;gBAC9B,CAAC,CAAC,GAAG,IAAI,CAAC,GAAG,CAAC,MAAM,OAAO,IAAI,CAAC,cAAc,oBAAoB;gBAClE,CAAC,CAAC,GAAG,IAAI,CAAC,cAAc,QAAQ,CAAC;YACnC,KAAK,CAAC,IAAI,CAAC,KAAK,IAAI,CAAC,IAAI,OAAO,SAAS,GAAG,CAAC,CAAC;YAE9C,IAAI,IAAI,CAAC,GAAG,CAAC,MAAM,GAAG,CAAC,EAAE,CAAC;gBACxB,MAAM,OAAO,GAAG,IAAI,CAAC,GAAG,CAAC,KAAK,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC;gBACtC,MAAM,IAAI,GAAG,IAAI,CAAC,GAAG,CAAC,MAAM,GAAG,EAAE,CAAC,CAAC,CAAC,WAAW,IAAI,CAAC,GAAG,CAAC,MAAM,GAAG,EAAE,QAAQ,CAAC,CAAC,CAAC,EAAE,CAAC;gBACjF,KAAK,CAAC,IAAI,CAAC,KAAK,OAAO,CAAC,IAAI,CAAC,IAAI,CAAC,GAAG,IAAI,EAAE,CAAC,CAAC;YAC/C,CAAC;iBAAM,CAAC;gBACN,KAAK,CAAC,IAAI,CAAC,cAAc,CAAC,CAAC;YAC7B,CAAC;YACD,KAAK,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;QACjB,CAAC;QAED,OAAO,CAAC,EAAE,IAAI,EAAE,MAAM,EAAE,IAAI,EAAE,KAAK,CAAC,IAAI,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;IACpD,CAAC;CACF,CAAC,CAAC"}
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@@ -1,6 +1,5 @@
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1
1
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/**
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-
* @fileoverview Get descriptive summaries for PubChem entities: assays, genes,
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* proteins, pathways, taxonomy, cell lines, or substances.
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* @fileoverview Get descriptive summaries for PubChem entities: assays, genes, proteins, or taxonomy.
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4
3
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* @module mcp-server/tools/definitions/get-summary
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5
4
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*/
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6
5
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import { z } from '@cyanheads/mcp-ts-core';
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@@ -1 +1 @@
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1
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-
{"version":3,"file":"get-summary.tool.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/get-summary.tool.ts"],"names":[],"mappings":"AAAA
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1
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+
{"version":3,"file":"get-summary.tool.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/get-summary.tool.ts"],"names":[],"mappings":"AAAA;;;GAGG;AAEH,OAAO,EAAQ,CAAC,EAAE,MAAM,wBAAwB,CAAC;AAkCjD,eAAO,MAAM,UAAU;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;6BAsGrB,CAAC"}
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@@ -1,6 +1,5 @@
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1
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/**
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2
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-
* @fileoverview Get descriptive summaries for PubChem entities: assays, genes,
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3
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* proteins, pathways, taxonomy, cell lines, or substances.
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2
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+
* @fileoverview Get descriptive summaries for PubChem entities: assays, genes, proteins, or taxonomy.
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4
3
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* @module mcp-server/tools/definitions/get-summary
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5
4
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*/
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6
5
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import { tool, z } from '@cyanheads/mcp-ts-core';
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@@ -32,8 +31,7 @@ const entitySummaryDataSchema = z.object({
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32
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});
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33
32
|
export const getSummary = tool('pubchem_get_summary', {
|
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34
33
|
title: 'Get Entity Summary',
|
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35
|
-
description: 'Get descriptive summaries for PubChem entities by ID. Supports assays (AID), genes (Gene ID), '
|
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36
|
-
'proteins (UniProt accession), and taxonomy (Tax ID). Up to 10 per call.',
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34
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+
description: 'Get descriptive summaries for PubChem entities by ID. Supports assays (AID), genes (Gene ID), proteins (UniProt accession), and taxonomy (Tax ID). Up to 10 per call.',
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37
35
|
annotations: {
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38
36
|
readOnlyHint: true,
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39
37
|
idempotentHint: true,
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@@ -50,11 +48,7 @@ export const getSummary = tool('pubchem_get_summary', {
|
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|
50
48
|
.describe('Entity identifier — string or number depending on entityType.'))
|
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51
49
|
.min(1)
|
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52
50
|
.max(10)
|
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53
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-
.describe('Entity identifiers (1-10). Type depends on entityType:\n'
|
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54
|
-
'- assay: AID (number), e.g. [1000]\n' +
|
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55
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-
'- gene: Gene ID (number), e.g. [1956]\n' +
|
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56
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-
'- protein: UniProt accession (string), e.g. ["P00533"]\n' +
|
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57
|
-
'- taxonomy: Tax ID (number), e.g. [9606]'),
|
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51
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+
.describe('Entity identifiers (1-10). Type depends on entityType:\n- assay: AID (number), e.g. [1000]\n- gene: Gene ID (number), e.g. [1956]\n- protein: UniProt accession (string), e.g. ["P00533"]\n- taxonomy: Tax ID (number), e.g. [9606]'),
|
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58
52
|
}),
|
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59
53
|
output: z.object({
|
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60
54
|
entityType: z.string().describe('Entity type queried.'),
|
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@@ -1 +1 @@
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1
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-
{"version":3,"file":"get-summary.tool.js","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/get-summary.tool.ts"],"names":[],"mappings":"AAAA
|
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1
|
+
{"version":3,"file":"get-summary.tool.js","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/get-summary.tool.ts"],"names":[],"mappings":"AAAA;;;GAGG;AAEH,OAAO,EAAE,IAAI,EAAE,CAAC,EAAE,MAAM,wBAAwB,CAAC;AACjD,OAAO,EAAE,gBAAgB,EAAE,MAAM,sCAAsC,CAAC;AAExE,MAAM,cAAc,GAAG,CAAC,CAAC,IAAI,CAAC,CAAC,OAAO,EAAE,MAAM,EAAE,SAAS,EAAE,UAAU,CAAC,CAAC,CAAC;AAIxE;;;;;GAKG;AACH,MAAM,uBAAuB,GAAG,CAAC,CAAC,MAAM,CAAC;IACvC,GAAG,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,wCAAwC,CAAC;IAC7E,IAAI,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,uBAAuB,CAAC;IAC7D,WAAW,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,kCAAkC,CAAC;IAC/E,UAAU,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,4CAA4C,CAAC;IACxF,aAAa,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,sCAAsC,CAAC;IACrF,SAAS,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,6CAA6C,CAAC;IACxF,MAAM,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,gCAAgC,CAAC;IACxE,MAAM,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,+BAA+B,CAAC;IACvE,UAAU,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,qDAAqD,CAAC;IACjG,QAAQ,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,oDAAoD,CAAC;IAC9F,QAAQ,EAAE,CAAC,CAAC,KAAK,CAAC,CAAC,CAAC,MAAM,EAAE,CAAC,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,+BAA+B,CAAC;IAClF,gBAAgB,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,wCAAwC,CAAC;IAC1F,cAAc,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,uCAAuC,CAAC;IACvF,UAAU,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,mCAAmC,CAAC;IAC/E,IAAI,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,sCAAsC,CAAC;IAC5E,OAAO,EAAE,CAAC,CAAC,KAAK,CAAC,CAAC,CAAC,MAAM,EAAE,CAAC,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,+CAA+C,CAAC;CAClG,CAAC,CAAC;AAIH,MAAM,CAAC,MAAM,UAAU,GAAG,IAAI,CAAC,qBAAqB,EAAE;IACpD,KAAK,EAAE,oBAAoB;IAC3B,WAAW,EACT,uKAAuK;IACzK,WAAW,EAAE;QACX,YAAY,EAAE,IAAI;QAClB,cAAc,EAAE,IAAI;QACpB,aAAa,EAAE,IAAI;KACpB;IACD,KAAK,EAAE,CAAC,CAAC,MAAM,CAAC;QACd,UAAU,EAAE,cAAc,CAAC,QAAQ,CAAC,wDAAwD,CAAC;QAC7F,WAAW,EAAE,CAAC;aACX,KAAK,CACJ,CAAC;aACE,KAAK,CAAC;YACL,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,6CAA6C,CAAC;YAClE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,iDAAiD,CAAC;SACvE,CAAC;aACD,QAAQ,CAAC,+DAA+D,CAAC,CAC7E;aACA,GAAG,CAAC,CAAC,CAAC;aACN,GAAG,CAAC,EAAE,CAAC;aACP,QAAQ,CACP,qOAAqO,CACtO;KACJ,CAAC;IACF,MAAM,EAAE,CAAC,CAAC,MAAM,CAAC;QACf,UAAU,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,sBAAsB,CAAC;QACvD,SAAS,EAAE,CAAC;aACT,KAAK,CACJ,CAAC;aACE,MAAM,CAAC;YACN,UAAU,EAAE,CAAC;iBACV,KAAK,CAAC;gBACL,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,6CAA6C,CAAC;gBAClE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,iDAAiD,CAAC;aACvE,CAAC;iBACD,QAAQ,CAAC,qBAAqB,CAAC;YAClC,KAAK,EAAE,CAAC,CAAC,OAAO,EAAE,CAAC,QAAQ,CAAC,+BAA+B,CAAC;YAC5D,IAAI,EAAE,uBAAuB;iBAC1B,QAAQ,EAAE;iBACV,QAAQ,CAAC,6DAA6D,CAAC;SAC3E,CAAC;aACD,QAAQ,CAAC,gCAAgC,CAAC,CAC9C;aACA,QAAQ,CAAC,kBAAkB,CAAC;KAChC,CAAC;IAEF,KAAK,CAAC,OAAO,CAAC,KAAK,EAAE,GAAG;QACtB,MAAM,MAAM,GAAG,gBAAgB,EAAE,CAAC;QAElC,MAAM,SAAS,GAAG,MAAM,OAAO,CAAC,GAAG,CACjC,KAAK,CAAC,WAAW,CAAC,GAAG,CAAC,KAAK,EAAE,EAAE,EAAE,EAAE;YACjC,MAAM,GAAG,GAAG,MAAM,MAAM,CAAC,gBAAgB,CAAC,KAAK,CAAC,UAAU,EAAE,EAAE,CAAC,CAAC;YAChE,IAAI,CAAC,GAAG;gBAAE,OAAO,EAAE,UAAU,EAAE,EAAE,EAAE,KAAK,EAAE,KAAc,EAAE,CAAC;YAE3D,MAAM,IAAI,GAAG,cAAc,CAAC,KAAK,CAAC,UAAU,EAAE,GAAG,CAAC,CAAC;YACnD,OAAO,EAAE,UAAU,EAAE,EAAE,EAAE,KAAK,EAAE,IAAa,EAAE,IAAI,EAAE,CAAC;QACxD,CAAC,CAAC,CACH,CAAC;QAEF,GAAG,CAAC,GAAG,CAAC,IAAI,CAAC,mBAAmB,EAAE;YAChC,UAAU,EAAE,KAAK,CAAC,UAAU;YAC5B,SAAS,EAAE,KAAK,CAAC,WAAW,CAAC,MAAM;YACnC,KAAK,EAAE,SAAS,CAAC,MAAM,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,KAAK,CAAC,CAAC,MAAM;SAC/C,CAAC,CAAC;QAEH,OAAO,EAAE,UAAU,EAAE,KAAK,CAAC,UAAU,EAAE,SAAS,EAAE,CAAC;IACrD,CAAC;IAED,MAAM,CAAC,MAAM;QACX,MAAM,KAAK,GAAa,CAAC,MAAM,UAAU,CAAC,MAAM,CAAC,UAAU,CAAC,YAAY,EAAE,EAAE,CAAC,CAAC;QAE9E,KAAK,MAAM,CAAC,IAAI,MAAM,CAAC,SAAS,EAAE,CAAC;YACjC,IAAI,CAAC,CAAC,CAAC,KAAK,IAAI,CAAC,CAAC,CAAC,IAAI,EAAE,CAAC;gBACxB,KAAK,CAAC,IAAI,CAAC,gBAAgB,CAAC,CAAC,UAAU,gBAAgB,CAAC,CAAC;gBACzD,KAAK,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;gBACf,SAAS;YACX,CAAC;YAED,MAAM,CAAC,GAAG,CAAC,CAAC,IAAI,CAAC;YACjB,MAAM,WAAW,GAAG,CAAC,CAAC,IAAI,IAAI,CAAC,CAAC,MAAM,IAAI,MAAM,CAAC,CAAC,CAAC,UAAU,CAAC,CAAC;YAC/D,KAAK,CAAC,IAAI,CAAC,KAAK,WAAW,mBAAmB,CAAC,CAAC,UAAU,UAAU,CAAC,CAAC;YAEtE,KAAK,MAAM,CAAC,GAAG,EAAE,KAAK,CAAC,IAAI,MAAM,CAAC,OAAO,CAAC,CAAC,CAAC,EAAE,CAAC;gBAC7C,IAAI,KAAK,IAAI,IAAI,IAAI,GAAG,KAAK,MAAM;oBAAE,SAAS;gBAC9C,IAAI,KAAK,CAAC,OAAO,CAAC,KAAK,CAAC,EAAE,CAAC;oBACzB,IAAI,KAAK,CAAC,MAAM,KAAK,CAAC;wBAAE,SAAS;oBACjC,MAAM,OAAO,GACX,KAAK,CAAC,MAAM,GAAG,EAAE;wBACf,CAAC,CAAC,GAAG,KAAK,CAAC,KAAK,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC,IAAI,CAAC,IAAI,CAAC,MAAM,KAAK,CAAC,MAAM,GAAG,EAAE,QAAQ;wBACjE,CAAC,CAAC,KAAK,CAAC,IAAI,CAAC,IAAI,CAAC,CAAC;oBACvB,KAAK,CAAC,IAAI,CAAC,KAAK,SAAS,CAAC,GAAG,CAAC,KAAK,OAAO,EAAE,CAAC,CAAC;gBAChD,CAAC;qBAAM,CAAC;oBACN,KAAK,CAAC,IAAI,CAAC,KAAK,SAAS,CAAC,GAAG,CAAC,KAAK,KAAK,EAAE,CAAC,CAAC;gBAC9C,CAAC;YACH,CAAC;YACD,KAAK,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;QACjB,CAAC;QAED,OAAO,CAAC,EAAE,IAAI,EAAE,MAAM,EAAE,IAAI,EAAE,KAAK,CAAC,IAAI,CAAC,IAAI,CAAC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@@ -223,17 +223,17 @@ export declare const allToolDefinitions: (import("@cyanheads/mcp-ts-core").ToolD
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223
223
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}, import("zod/v4/core").$strip>>;
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224
224
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}, import("zod/v4/core").$strip>, readonly [{
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225
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readonly reason: "missing_identifier_args";
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226
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-
readonly code: import("@cyanheads/mcp-ts-core/errors").JsonRpcErrorCode.
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226
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+
readonly code: import("@cyanheads/mcp-ts-core/errors").JsonRpcErrorCode.ValidationError;
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readonly when: "searchType is \"identifier\" but identifierType or identifiers were omitted";
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readonly recovery: "Set identifierType (name/smiles/inchikey) and pass a non-empty identifiers array (1-25 entries).";
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}, {
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230
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readonly reason: "missing_formula";
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231
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-
readonly code: import("@cyanheads/mcp-ts-core/errors").JsonRpcErrorCode.
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231
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+
readonly code: import("@cyanheads/mcp-ts-core/errors").JsonRpcErrorCode.ValidationError;
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232
232
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readonly when: "searchType is \"formula\" but the formula field was omitted";
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readonly recovery: "Pass formula in Hill notation, for example \"C6H12O6\" or \"CaH2O2\".";
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}, {
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readonly reason: "missing_structure_args";
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236
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-
readonly code: import("@cyanheads/mcp-ts-core/errors").JsonRpcErrorCode.
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236
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+
readonly code: import("@cyanheads/mcp-ts-core/errors").JsonRpcErrorCode.ValidationError;
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237
237
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readonly when: "substructure/superstructure/similarity search missing query or queryType";
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238
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readonly recovery: "Provide both query (SMILES string or CID as string) and queryType (\"smiles\" or \"cid\").";
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239
239
|
}]>)[];
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@@ -7,9 +7,7 @@ import { tool, z } from '@cyanheads/mcp-ts-core';
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7
7
|
import { getPubChemClient } from '../../../services/pubchem/pubchem-client.js';
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8
8
|
export const searchAssays = tool('pubchem_search_assays', {
|
|
9
9
|
title: 'Search Assays',
|
|
10
|
-
description: 'Find PubChem bioassays associated with a biological target. Search by gene symbol '
|
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11
|
-
'(e.g. "EGFR"), protein name, NCBI Gene ID, or UniProt accession. Returns assay IDs (AIDs) ' +
|
|
12
|
-
'which can be explored further with pubchem_get_summary.',
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10
|
+
description: 'Find PubChem bioassays associated with a biological target. Search by gene symbol (e.g. "EGFR"), protein name, NCBI Gene ID, or UniProt accession. Returns assay IDs (AIDs) which can be explored further with pubchem_get_summary.',
|
|
13
11
|
annotations: {
|
|
14
12
|
readOnlyHint: true,
|
|
15
13
|
idempotentHint: true,
|
|
@@ -18,12 +16,10 @@ export const searchAssays = tool('pubchem_search_assays', {
|
|
|
18
16
|
input: z.object({
|
|
19
17
|
targetType: z
|
|
20
18
|
.enum(['genesymbol', 'proteinname', 'geneid', 'proteinaccession'])
|
|
21
|
-
.describe('Target identifier type. "genesymbol" and "proteinname" accept text names. '
|
|
22
|
-
'"geneid" accepts NCBI Gene IDs. "proteinaccession" accepts UniProt accessions.'),
|
|
19
|
+
.describe('Target identifier type. "genesymbol" and "proteinname" accept text names. "geneid" accepts NCBI Gene IDs. "proteinaccession" accepts UniProt accessions.'),
|
|
23
20
|
targetQuery: z
|
|
24
21
|
.string()
|
|
25
|
-
.describe('Target identifier. Examples: "EGFR" (genesymbol), "Epidermal growth factor receptor" '
|
|
26
|
-
'(proteinname), "1956" (geneid), "P00533" (proteinaccession).'),
|
|
22
|
+
.describe('Target identifier. Examples: "EGFR" (genesymbol), "Epidermal growth factor receptor" (proteinname), "1956" (geneid), "P00533" (proteinaccession).'),
|
|
27
23
|
maxResults: z
|
|
28
24
|
.number()
|
|
29
25
|
.min(1)
|
|
@@ -32,7 +28,9 @@ export const searchAssays = tool('pubchem_search_assays', {
|
|
|
32
28
|
.describe('Max AIDs to return (1-200). Popular targets may have thousands of assays. Default: 50.'),
|
|
33
29
|
}),
|
|
34
30
|
output: z.object({
|
|
35
|
-
targetType: z
|
|
31
|
+
targetType: z
|
|
32
|
+
.string()
|
|
33
|
+
.describe('Target identifier type used: genesymbol, proteinname, geneid, or proteinaccession.'),
|
|
36
34
|
targetQuery: z.string().describe('Target identifier searched.'),
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totalFound: z.number().describe('Total AIDs found.'),
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aids: z.array(z.number()).describe('PubChem Assay IDs.'),
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@@ -1 +1 @@
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1
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-
{"version":3,"file":"search-assays.tool.js","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/search-assays.tool.ts"],"names":[],"mappings":"AAAA;;;;GAIG;AAEH,OAAO,EAAE,IAAI,EAAE,CAAC,EAAE,MAAM,wBAAwB,CAAC;AACjD,OAAO,EAAE,gBAAgB,EAAE,MAAM,sCAAsC,CAAC;AAExE,MAAM,CAAC,MAAM,YAAY,GAAG,IAAI,CAAC,uBAAuB,EAAE;IACxD,KAAK,EAAE,eAAe;IACtB,WAAW,EACT,
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1
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+
{"version":3,"file":"search-assays.tool.js","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/search-assays.tool.ts"],"names":[],"mappings":"AAAA;;;;GAIG;AAEH,OAAO,EAAE,IAAI,EAAE,CAAC,EAAE,MAAM,wBAAwB,CAAC;AACjD,OAAO,EAAE,gBAAgB,EAAE,MAAM,sCAAsC,CAAC;AAExE,MAAM,CAAC,MAAM,YAAY,GAAG,IAAI,CAAC,uBAAuB,EAAE;IACxD,KAAK,EAAE,eAAe;IACtB,WAAW,EACT,qOAAqO;IACvO,WAAW,EAAE;QACX,YAAY,EAAE,IAAI;QAClB,cAAc,EAAE,IAAI;QACpB,aAAa,EAAE,IAAI;KACpB;IACD,KAAK,EAAE,CAAC,CAAC,MAAM,CAAC;QACd,UAAU,EAAE,CAAC;aACV,IAAI,CAAC,CAAC,YAAY,EAAE,aAAa,EAAE,QAAQ,EAAE,kBAAkB,CAAC,CAAC;aACjE,QAAQ,CACP,0JAA0J,CAC3J;QACH,WAAW,EAAE,CAAC;aACX,MAAM,EAAE;aACR,QAAQ,CACP,mJAAmJ,CACpJ;QACH,UAAU,EAAE,CAAC;aACV,MAAM,EAAE;aACR,GAAG,CAAC,CAAC,CAAC;aACN,GAAG,CAAC,GAAG,CAAC;aACR,OAAO,CAAC,EAAE,CAAC;aACX,QAAQ,CACP,wFAAwF,CACzF;KACJ,CAAC;IACF,MAAM,EAAE,CAAC,CAAC,MAAM,CAAC;QACf,UAAU,EAAE,CAAC;aACV,MAAM,EAAE;aACR,QAAQ,CACP,oFAAoF,CACrF;QACH,WAAW,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,6BAA6B,CAAC;QAC/D,UAAU,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,mBAAmB,CAAC;QACpD,IAAI,EAAE,CAAC,CAAC,KAAK,CAAC,CAAC,CAAC,MAAM,EAAE,CAAC,CAAC,QAAQ,CAAC,oBAAoB,CAAC;KACzD,CAAC;IAEF,KAAK,CAAC,OAAO,CAAC,KAAK,EAAE,GAAG;QACtB,MAAM,MAAM,GAAG,gBAAgB,EAAE,CAAC;QAClC,MAAM,OAAO,GAAG,MAAM,MAAM,CAAC,oBAAoB,CAAC,KAAK,CAAC,UAAU,EAAE,KAAK,CAAC,WAAW,CAAC,CAAC;QAEvF,MAAM,UAAU,GAAG,OAAO,CAAC,MAAM,CAAC;QAClC,MAAM,IAAI,GAAG,OAAO,CAAC,KAAK,CAAC,CAAC,EAAE,KAAK,CAAC,UAAU,CAAC,CAAC;QAEhD,GAAG,CAAC,GAAG,CAAC,IAAI,CAAC,wBAAwB,EAAE;YACrC,UAAU,EAAE,KAAK,CAAC,UAAU;YAC5B,WAAW,EAAE,KAAK,CAAC,WAAW;YAC9B,UAAU;YACV,QAAQ,EAAE,IAAI,CAAC,MAAM;SACtB,CAAC,CAAC;QAEH,OAAO;YACL,UAAU,EAAE,KAAK,CAAC,UAAU;YAC5B,WAAW,EAAE,KAAK,CAAC,WAAW;YAC9B,UAAU;YACV,IAAI;SACL,CAAC;IACJ,CAAC;IAED,MAAM,CAAC,MAAM;QACX,MAAM,SAAS,GACb,MAAM,CAAC,UAAU,GAAG,MAAM,CAAC,IAAI,CAAC,MAAM;YACpC,CAAC,CAAC,aAAa,MAAM,CAAC,IAAI,CAAC,MAAM,OAAO,MAAM,CAAC,UAAU,GAAG;YAC5D,CAAC,CAAC,EAAE,CAAC;QAET,MAAM,KAAK,GAAG;YACZ,SAAS,MAAM,CAAC,UAAU,SAAS,MAAM,CAAC,UAAU,KAAK,CAAC,CAAC,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC,EAAE,SAAS,MAAM,CAAC,WAAW,MAAM,MAAM,CAAC,UAAU,IAAI,SAAS,EAAE;YACtI,EAAE;SACH,CAAC;QAEF,IAAI,MAAM,CAAC,IAAI,CAAC,MAAM,GAAG,CAAC,EAAE,CAAC;YAC3B,KAAK,CAAC,IAAI,CAAC,SAAS,MAAM,CAAC,IAAI,CAAC,IAAI,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;QAChD,CAAC;aAAM,CAAC;YACN,KAAK,CAAC,IAAI,CAAC,kBAAkB,CAAC,CAAC;QACjC,CAAC;QAED,OAAO,CAAC,EAAE,IAAI,EAAE,MAAM,EAAE,IAAI,EAAE,KAAK,CAAC,IAAI,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;IACpD,CAAC;CACF,CAAC,CAAC"}
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@@ -41,17 +41,17 @@ export declare const searchCompounds: import("@cyanheads/mcp-ts-core").ToolDefin
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}, z.core.$strip>>;
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}, z.core.$strip>, readonly [{
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readonly reason: "missing_identifier_args";
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readonly code: JsonRpcErrorCode.
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+
readonly code: JsonRpcErrorCode.ValidationError;
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readonly when: "searchType is \"identifier\" but identifierType or identifiers were omitted";
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readonly recovery: "Set identifierType (name/smiles/inchikey) and pass a non-empty identifiers array (1-25 entries).";
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}, {
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readonly reason: "missing_formula";
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readonly code: JsonRpcErrorCode.
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readonly code: JsonRpcErrorCode.ValidationError;
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readonly when: "searchType is \"formula\" but the formula field was omitted";
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readonly recovery: "Pass formula in Hill notation, for example \"C6H12O6\" or \"CaH2O2\".";
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}, {
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readonly reason: "missing_structure_args";
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readonly code: JsonRpcErrorCode.
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+
readonly code: JsonRpcErrorCode.ValidationError;
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readonly when: "substructure/superstructure/similarity search missing query or queryType";
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readonly recovery: "Provide both query (SMILES string or CID as string) and queryType (\"smiles\" or \"cid\").";
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}]>;
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@@ -1 +1 @@
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1
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-
{"version":3,"file":"search-compounds.tool.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/search-compounds.tool.ts"],"names":[],"mappings":"AAAA;;;;GAIG;AAEH,OAAO,EAAQ,CAAC,EAAE,MAAM,wBAAwB,CAAC;AACjD,OAAO,EAAE,gBAAgB,EAAE,MAAM,+BAA+B,CAAC;AAgBjE,eAAO,MAAM,eAAe;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
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1
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+
{"version":3,"file":"search-compounds.tool.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/search-compounds.tool.ts"],"names":[],"mappings":"AAAA;;;;GAIG;AAEH,OAAO,EAAQ,CAAC,EAAE,MAAM,wBAAwB,CAAC;AACjD,OAAO,EAAE,gBAAgB,EAAE,MAAM,+BAA+B,CAAC;AAgBjE,eAAO,MAAM,eAAe;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;GAkQ1B,CAAC"}
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@@ -19,20 +19,14 @@ const queryTypeEnum = z.enum(['smiles', 'cid']);
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const propertyEnum = z.enum(COMPOUND_PROPERTIES);
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export const searchCompounds = tool('pubchem_search_compounds', {
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title: 'Search Compounds',
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-
description:
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`- identifier: Resolve compound names, SMILES, or InChIKeys to CIDs (batch up to 25)\n` +
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`- formula: Find compounds by molecular formula (Hill notation, e.g. "C6H12O6")\n` +
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`- substructure: Find compounds containing a substructure (SMILES or CID)\n` +
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`- superstructure: Find compounds that are substructures of the query\n` +
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`- similarity: Find structurally similar compounds by 2D Tanimoto similarity\n\n` +
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`Optionally hydrate results with properties to avoid a follow-up details call.`,
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description: 'Search PubChem for chemical compounds by identifier (name, SMILES, or InChIKey, batched up to 25), molecular formula in Hill notation, substructure or superstructure containment, or 2D Tanimoto similarity. Optionally hydrate results with properties to avoid a follow-up pubchem_get_compound_details call.',
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annotations: {
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readOnlyHint: true,
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idempotentHint: true,
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openWorldHint: true,
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},
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input: z.object({
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searchType: searchTypeEnum.describe('Search strategy
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searchType: searchTypeEnum.describe('Search strategy. "identifier": name/SMILES/InChIKey lookup. "formula": molecular formula. "substructure": find compounds containing the query as a substructure. "superstructure": find compounds that are themselves substructures of the query. "similarity": 2D Tanimoto similarity to the query.'),
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identifierType: identifierTypeEnum
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.optional()
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.describe('Required for identifier search. Type of chemical identifier: "name", "smiles", or "inchikey".'),
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@@ -44,8 +38,7 @@ export const searchCompounds = tool('pubchem_search_compounds', {
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message: 'identifiers must all be non-empty strings',
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})
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.optional()
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.describe('Required for identifier search. Array of identifiers to resolve (1-25). '
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'Examples: ["aspirin", "ibuprofen"] for name, ["CC(=O)OC1=CC=CC=C1C(=O)O"] for SMILES.'),
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+
.describe('Required for identifier search. Array of identifiers to resolve (1-25). Examples: ["aspirin", "ibuprofen"] for name, ["CC(=O)OC1=CC=CC=C1C(=O)O"] for SMILES, ["BSYNRYMUTXBXSQ-UHFFFAOYSA-N"] for inchikey (27-char block format).'),
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formula: z
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.string()
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.optional()
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@@ -57,8 +50,7 @@ export const searchCompounds = tool('pubchem_search_compounds', {
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query: z
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.string()
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.optional()
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-
.describe('Required for substructure/superstructure/similarity searches. '
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'A SMILES string or PubChem CID (as string) for the query structure.'),
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+
.describe('Required for substructure/superstructure/similarity searches. A SMILES string (e.g. "CC(=O)O") or PubChem CID as a string (e.g. "2244").'),
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queryType: queryTypeEnum
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.optional()
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56
|
.describe('Required for structure/similarity searches. Format of the query: "smiles" or "cid".'),
|
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@@ -67,8 +59,7 @@ export const searchCompounds = tool('pubchem_search_compounds', {
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.min(70)
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.max(100)
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.default(90)
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70
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-
.describe('Similarity search only. Minimum Tanimoto similarity (70-100). '
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-
'90+ for close analogs, 70-80 for scaffold hops. Default: 90.'),
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+
.describe('Similarity search only. Minimum Tanimoto similarity (70-100). 90+ for close analogs, 70-80 for scaffold hops. Default: 90.'),
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maxResults: z
|
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.number()
|
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74
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.min(1)
|
|
@@ -78,11 +69,12 @@ export const searchCompounds = tool('pubchem_search_compounds', {
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properties: z
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.array(propertyEnum)
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80
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.optional()
|
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81
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-
.describe('Optional: fetch these properties for each result, avoiding a follow-up details call. '
|
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82
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-
'E.g. ["MolecularFormula", "MolecularWeight", "CanonicalSMILES"].'),
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+
.describe('Optional: fetch these properties for each result, avoiding a follow-up details call. E.g. ["MolecularFormula", "MolecularWeight", "CanonicalSMILES"].'),
|
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}),
|
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output: z.object({
|
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-
searchType: z
|
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+
searchType: z
|
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+
.string()
|
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77
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+
.describe('Search strategy used: identifier, formula, substructure, superstructure, or similarity.'),
|
|
86
78
|
totalFound: z.number().describe('Total CIDs found (before maxResults cap).'),
|
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79
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results: z
|
|
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.array(z
|
|
@@ -95,7 +87,7 @@ export const searchCompounds = tool('pubchem_search_compounds', {
|
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95
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properties: z
|
|
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88
|
.record(z.string(), z.unknown())
|
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97
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.optional()
|
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|
-
.describe('Compound properties when requested.'),
|
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90
|
+
.describe('Compound properties keyed by name (echoes input.properties; only present when requested).'),
|
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|
})
|
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.describe('Matching compound entry.'))
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.describe('Matching compounds.'),
|
|
@@ -103,19 +95,19 @@ export const searchCompounds = tool('pubchem_search_compounds', {
|
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errors: [
|
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|
{
|
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|
reason: 'missing_identifier_args',
|
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-
code: JsonRpcErrorCode.
|
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|
+
code: JsonRpcErrorCode.ValidationError,
|
|
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99
|
when: 'searchType is "identifier" but identifierType or identifiers were omitted',
|
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108
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|
recovery: 'Set identifierType (name/smiles/inchikey) and pass a non-empty identifiers array (1-25 entries).',
|
|
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|
},
|
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|
{
|
|
111
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|
reason: 'missing_formula',
|
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-
code: JsonRpcErrorCode.
|
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104
|
+
code: JsonRpcErrorCode.ValidationError,
|
|
113
105
|
when: 'searchType is "formula" but the formula field was omitted',
|
|
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|
recovery: 'Pass formula in Hill notation, for example "C6H12O6" or "CaH2O2".',
|
|
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|
},
|
|
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|
{
|
|
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reason: 'missing_structure_args',
|
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|
-
code: JsonRpcErrorCode.
|
|
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|
+
code: JsonRpcErrorCode.ValidationError,
|
|
119
111
|
when: 'substructure/superstructure/similarity search missing query or queryType',
|
|
120
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|
recovery: 'Provide both query (SMILES string or CID as string) and queryType ("smiles" or "cid").',
|
|
121
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},
|
|
@@ -196,8 +188,7 @@ export const searchCompounds = tool('pubchem_search_compounds', {
|
|
|
196
188
|
result.identifier = identifier;
|
|
197
189
|
const rawProps = propsMap?.get(cid);
|
|
198
190
|
if (rawProps) {
|
|
199
|
-
const
|
|
200
|
-
delete props.CID;
|
|
191
|
+
const { CID: _CID, ...props } = rawProps;
|
|
201
192
|
result.properties = props;
|
|
202
193
|
}
|
|
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|
return result;
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"search-compounds.tool.js","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/search-compounds.tool.ts"],"names":[],"mappings":"AAAA;;;;GAIG;AAEH,OAAO,EAAE,IAAI,EAAE,CAAC,EAAE,MAAM,wBAAwB,CAAC;AACjD,OAAO,EAAE,gBAAgB,EAAE,MAAM,+BAA+B,CAAC;AACjE,OAAO,EAAE,gBAAgB,EAAE,MAAM,sCAAsC,CAAC;AACxE,OAAO,EAAE,mBAAmB,EAAE,MAAM,6BAA6B,CAAC;AAElE,MAAM,cAAc,GAAG,CAAC,CAAC,IAAI,CAAC;IAC5B,YAAY;IACZ,SAAS;IACT,cAAc;IACd,gBAAgB;IAChB,YAAY;CACb,CAAC,CAAC;AAEH,MAAM,kBAAkB,GAAG,CAAC,CAAC,IAAI,CAAC,CAAC,MAAM,EAAE,QAAQ,EAAE,UAAU,CAAC,CAAC,CAAC;AAClE,MAAM,aAAa,GAAG,CAAC,CAAC,IAAI,CAAC,CAAC,QAAQ,EAAE,KAAK,CAAC,CAAC,CAAC;AAChD,MAAM,YAAY,GAAG,CAAC,CAAC,IAAI,CAAC,mBAAuD,CAAC,CAAC;AAErF,MAAM,CAAC,MAAM,eAAe,GAAG,IAAI,CAAC,0BAA0B,EAAE;IAC9D,KAAK,EAAE,kBAAkB;IACzB,WAAW,EACT,
|
|
1
|
+
{"version":3,"file":"search-compounds.tool.js","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/search-compounds.tool.ts"],"names":[],"mappings":"AAAA;;;;GAIG;AAEH,OAAO,EAAE,IAAI,EAAE,CAAC,EAAE,MAAM,wBAAwB,CAAC;AACjD,OAAO,EAAE,gBAAgB,EAAE,MAAM,+BAA+B,CAAC;AACjE,OAAO,EAAE,gBAAgB,EAAE,MAAM,sCAAsC,CAAC;AACxE,OAAO,EAAE,mBAAmB,EAAE,MAAM,6BAA6B,CAAC;AAElE,MAAM,cAAc,GAAG,CAAC,CAAC,IAAI,CAAC;IAC5B,YAAY;IACZ,SAAS;IACT,cAAc;IACd,gBAAgB;IAChB,YAAY;CACb,CAAC,CAAC;AAEH,MAAM,kBAAkB,GAAG,CAAC,CAAC,IAAI,CAAC,CAAC,MAAM,EAAE,QAAQ,EAAE,UAAU,CAAC,CAAC,CAAC;AAClE,MAAM,aAAa,GAAG,CAAC,CAAC,IAAI,CAAC,CAAC,QAAQ,EAAE,KAAK,CAAC,CAAC,CAAC;AAChD,MAAM,YAAY,GAAG,CAAC,CAAC,IAAI,CAAC,mBAAuD,CAAC,CAAC;AAErF,MAAM,CAAC,MAAM,eAAe,GAAG,IAAI,CAAC,0BAA0B,EAAE;IAC9D,KAAK,EAAE,kBAAkB;IACzB,WAAW,EACT,kTAAkT;IACpT,WAAW,EAAE;QACX,YAAY,EAAE,IAAI;QAClB,cAAc,EAAE,IAAI;QACpB,aAAa,EAAE,IAAI;KACpB;IACD,KAAK,EAAE,CAAC,CAAC,MAAM,CAAC;QACd,UAAU,EAAE,cAAc,CAAC,QAAQ,CACjC,sSAAsS,CACvS;QACD,cAAc,EAAE,kBAAkB;aAC/B,QAAQ,EAAE;aACV,QAAQ,CACP,+FAA+F,CAChG;QACH,WAAW,EAAE,CAAC;aACX,KAAK,CAAC,CAAC,CAAC,MAAM,EAAE,CAAC;aACjB,GAAG,CAAC,CAAC,CAAC;aACN,GAAG,CAAC,EAAE,CAAC;aACP,MAAM,CAAC,CAAC,GAAG,EAAE,EAAE,CAAC,GAAG,CAAC,KAAK,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,IAAI,EAAE,CAAC,MAAM,GAAG,CAAC,CAAC,EAAE;YACtD,OAAO,EAAE,2CAA2C;SACrD,CAAC;aACD,QAAQ,EAAE;aACV,QAAQ,CACP,oOAAoO,CACrO;QACH,OAAO,EAAE,CAAC;aACP,MAAM,EAAE;aACR,QAAQ,EAAE;aACV,QAAQ,CACP,6FAA6F,CAC9F;QACH,kBAAkB,EAAE,CAAC;aAClB,OAAO,EAAE;aACT,OAAO,CAAC,KAAK,CAAC;aACd,QAAQ,CACP,iGAAiG,CAClG;QACH,KAAK,EAAE,CAAC;aACL,MAAM,EAAE;aACR,QAAQ,EAAE;aACV,QAAQ,CACP,0IAA0I,CAC3I;QACH,SAAS,EAAE,aAAa;aACrB,QAAQ,EAAE;aACV,QAAQ,CACP,qFAAqF,CACtF;QACH,SAAS,EAAE,CAAC;aACT,MAAM,EAAE;aACR,GAAG,CAAC,EAAE,CAAC;aACP,GAAG,CAAC,GAAG,CAAC;aACR,OAAO,CAAC,EAAE,CAAC;aACX,QAAQ,CACP,4HAA4H,CAC7H;QACH,UAAU,EAAE,CAAC;aACV,MAAM,EAAE;aACR,GAAG,CAAC,CAAC,CAAC;aACN,GAAG,CAAC,GAAG,CAAC;aACR,OAAO,CAAC,EAAE,CAAC;aACX,QAAQ,CAAC,8CAA8C,CAAC;QAC3D,UAAU,EAAE,CAAC;aACV,KAAK,CAAC,YAAY,CAAC;aACnB,QAAQ,EAAE;aACV,QAAQ,CACP,uJAAuJ,CACxJ;KACJ,CAAC;IACF,MAAM,EAAE,CAAC,CAAC,MAAM,CAAC;QACf,UAAU,EAAE,CAAC;aACV,MAAM,EAAE;aACR,QAAQ,CACP,yFAAyF,CAC1F;QACH,UAAU,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,2CAA2C,CAAC;QAC5E,OAAO,EAAE,CAAC;aACP,KAAK,CACJ,CAAC;aACE,MAAM,CAAC;YACN,GAAG,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,sBAAsB,CAAC;YAChD,UAAU,EAAE,CAAC;iBACV,MAAM,EAAE;iBACR,QAAQ,EAAE;iBACV,QAAQ,CAAC,iDAAiD,CAAC;YAC9D,UAAU,EAAE,CAAC;iBACV,MAAM,CAAC,CAAC,CAAC,MAAM,EAAE,EAAE,CAAC,CAAC,OAAO,EAAE,CAAC;iBAC/B,QAAQ,EAAE;iBACV,QAAQ,CACP,2FAA2F,CAC5F;SACJ,CAAC;aACD,QAAQ,CAAC,0BAA0B,CAAC,CACxC;aACA,QAAQ,CAAC,qBAAqB,CAAC;KACnC,CAAC;IACF,MAAM,EAAE;QACN;YACE,MAAM,EAAE,yBAAyB;YACjC,IAAI,EAAE,gBAAgB,CAAC,eAAe;YACtC,IAAI,EAAE,2EAA2E;YACjF,QAAQ,EACN,kGAAkG;SACrG;QACD;YACE,MAAM,EAAE,iBAAiB;YACzB,IAAI,EAAE,gBAAgB,CAAC,eAAe;YACtC,IAAI,EAAE,2DAA2D;YACjE,QAAQ,EAAE,mEAAmE;SAC9E;QACD;YACE,MAAM,EAAE,wBAAwB;YAChC,IAAI,EAAE,gBAAgB,CAAC,eAAe;YACtC,IAAI,EAAE,0EAA0E;YAChF,QAAQ,EACN,wFAAwF;SAC3F;KACF;IAED,KAAK,CAAC,OAAO,CAAC,KAAK,EAAE,GAAG;QACtB,MAAM,MAAM,GAAG,gBAAgB,EAAE,CAAC;QAClC,IAAI,OAAO,GAAa,EAAE,CAAC;QAC3B,MAAM,aAAa,GAAG,IAAI,GAAG,EAAkB,CAAC;QAEhD,QAAQ,KAAK,CAAC,UAAU,EAAE,CAAC;YACzB,KAAK,YAAY,CAAC,CAAC,CAAC;gBAClB,MAAM,EAAE,cAAc,EAAE,WAAW,EAAE,GAAG,KAAK,CAAC;gBAC9C,IAAI,CAAC,cAAc,IAAI,CAAC,WAAW,EAAE,CAAC;oBACpC,MAAM,GAAG,CAAC,IAAI,CAAC,yBAAyB,EAAE,SAAS,EAAE;wBACnD,GAAG,GAAG,CAAC,WAAW,CAAC,yBAAyB,CAAC;qBAC9C,CAAC,CAAC;gBACL,CAAC;gBACD,MAAM,OAAO,GAAG,WAAW,CAAC,GAAG,CAAC,KAAK,EAAE,EAAE,EAAE,EAAE;oBAC3C,IAAI,IAAc,CAAC;oBACnB,QAAQ,cAAc,EAAE,CAAC;wBACvB,KAAK,MAAM;4BACT,IAAI,GAAG,MAAM,MAAM,CAAC,YAAY,CAAC,EAAE,CAAC,CAAC;4BACrC,MAAM;wBACR,KAAK,QAAQ;4BACX,IAAI,GAAG,MAAM,MAAM,CAAC,cAAc,CAAC,EAAE,CAAC,CAAC;4BACvC,MAAM;wBACR,KAAK,UAAU;4BACb,IAAI,GAAG,MAAM,MAAM,CAAC,gBAAgB,CAAC,EAAE,CAAC,CAAC;4BACzC,MAAM;oBACV,CAAC;oBACD,KAAK,MAAM,GAAG,IAAI,IAAI;wBAAE,aAAa,CAAC,GAAG,CAAC,GAAG,EAAE,EAAE,CAAC,CAAC;oBACnD,OAAO,IAAI,CAAC;gBACd,CAAC,CAAC,CAAC;gBACH,MAAM,OAAO,GAAG,MAAM,OAAO,CAAC,GAAG,CAAC,OAAO,CAAC,CAAC;gBAC3C,OAAO,GAAG,OAAO,CAAC,IAAI,EAAE,CAAC;gBACzB,MAAM;YACR,CAAC;YACD,KAAK,SAAS,CAAC,CAAC,CAAC;gBACf,IAAI,CAAC,KAAK,CAAC,OAAO,EAAE,CAAC;oBACnB,MAAM,GAAG,CAAC,IAAI,CAAC,iBAAiB,EAAE,SAAS,EAAE;wBAC3C,GAAG,GAAG,CAAC,WAAW,CAAC,iBAAiB,CAAC;qBACtC,CAAC,CAAC;gBACL,CAAC;gBACD,OAAO,GAAG,MAAM,MAAM,CAAC,eAAe,CAAC,KAAK,CAAC,OAAO,EAAE,KAAK,CAAC,kBAAkB,CAAC,CAAC;gBAChF,MAAM;YACR,CAAC;YACD,KAAK,cAAc,CAAC;YACpB,KAAK,gBAAgB,CAAC;YACtB,KAAK,YAAY,CAAC,CAAC,CAAC;gBAClB,IAAI,CAAC,KAAK,CAAC,KAAK,IAAI,CAAC,KAAK,CAAC,SAAS,EAAE,CAAC;oBACrC,MAAM,GAAG,CAAC,IAAI,CAAC,wBAAwB,EAAE,SAAS,EAAE;wBAClD,GAAG,GAAG,CAAC,WAAW,CAAC,wBAAwB,CAAC;qBAC7C,CAAC,CAAC;gBACL,CAAC;gBACD,OAAO,GAAG,MAAM,MAAM,CAAC,iBAAiB,CACtC,KAAK,CAAC,UAAU,EAChB,KAAK,CAAC,KAAK,EACX,KAAK,CAAC,SAAS,EACf,KAAK,CAAC,SAAS,CAChB,CAAC;gBACF,MAAM;YACR,CAAC;QACH,CAAC;QAED,sBAAsB;QACtB,MAAM,UAAU,GAAG,CAAC,GAAG,IAAI,GAAG,CAAC,OAAO,CAAC,CAAC,CAAC;QACzC,MAAM,UAAU,GAAG,UAAU,CAAC,MAAM,CAAC;QACrC,MAAM,UAAU,GAAG,UAAU,CAAC,KAAK,CAAC,CAAC,EAAE,KAAK,CAAC,UAAU,CAAC,CAAC;QAEzD,GAAG,CAAC,GAAG,CAAC,IAAI,CAAC,kBAAkB,EAAE;YAC/B,UAAU,EAAE,KAAK,CAAC,UAAU;YAC5B,UAAU;YACV,QAAQ,EAAE,UAAU,CAAC,MAAM;SAC5B,CAAC,CAAC;QAEH,qCAAqC;QACrC,IAAI,QAA0D,CAAC;QAC/D,IAAI,KAAK,CAAC,UAAU,IAAI,KAAK,CAAC,UAAU,CAAC,MAAM,GAAG,CAAC,IAAI,UAAU,CAAC,MAAM,GAAG,CAAC,EAAE,CAAC;YAC7E,MAAM,IAAI,GAAG,MAAM,MAAM,CAAC,aAAa,CAAC,UAAU,EAAE,KAAK,CAAC,UAAU,CAAC,CAAC;YACtE,QAAQ,GAAG,IAAI,GAAG,CAAC,IAAI,CAAC,GAAG,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,CAAC,GAAG,EAAE,CAAC,CAAC,CAAC,CAAC,CAAC;QAClD,CAAC;QAED,MAAM,OAAO,GAAG,UAAU,CAAC,GAAG,CAAC,CAAC,GAAG,EAAE,EAAE;YACrC,MAAM,MAAM,GAIR,EAAE,GAAG,EAAE,CAAC;YAEZ,MAAM,UAAU,GAAG,aAAa,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC;YAC1C,IAAI,UAAU;gBAAE,MAAM,CAAC,UAAU,GAAG,UAAU,CAAC;YAC/C,MAAM,QAAQ,GAAG,QAAQ,EAAE,GAAG,CAAC,GAAG,CAAC,CAAC;YACpC,IAAI,QAAQ,EAAE,CAAC;gBACb,MAAM,EAAE,GAAG,EAAE,IAAI,EAAE,GAAG,KAAK,EAAE,GAAG,QAAQ,CAAC;gBACzC,MAAM,CAAC,UAAU,GAAG,KAAK,CAAC;YAC5B,CAAC;YACD,OAAO,MAAM,CAAC;QAChB,CAAC,CAAC,CAAC;QAEH,OAAO,EAAE,UAAU,EAAE,KAAK,CAAC,UAAU,EAAE,UAAU,EAAE,OAAO,EAAE,CAAC;IAC/D,CAAC;IAED,MAAM,CAAC,MAAM;QACX,MAAM,KAAK,GAAa,EAAE,CAAC;QAC3B,MAAM,KAAK,GAAG,MAAM,CAAC,OAAO,CAAC,MAAM,CAAC;QACpC,MAAM,SAAS,GACb,MAAM,CAAC,UAAU,GAAG,KAAK,CAAC,CAAC,CAAC,aAAa,KAAK,OAAO,MAAM,CAAC,UAAU,GAAG,CAAC,CAAC,CAAC,EAAE,CAAC;QACjF,KAAK,CAAC,IAAI,CACR,SAAS,MAAM,CAAC,UAAU,YAAY,MAAM,CAAC,UAAU,KAAK,CAAC,CAAC,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC,EAAE,GAAG,SAAS,MAAM,MAAM,CAAC,UAAU,SAAS,CACrH,CAAC;QACF,KAAK,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;QAEf,IAAI,MAAM,CAAC,OAAO,CAAC,MAAM,KAAK,CAAC,EAAE,CAAC;YAChC,KAAK,CAAC,IAAI,CAAC,aAAa,CAAC,CAAC;YAC1B,OAAO,CAAC,EAAE,IAAI,EAAE,MAAM,EAAE,IAAI,EAAE,KAAK,CAAC,IAAI,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;QACpD,CAAC;QAED,MAAM,QAAQ,GAAG,MAAM,CAAC,OAAO,CAAC,IAAI,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,UAAU,CAAC,CAAC;QAE1D,IAAI,QAAQ,EAAE,CAAC;YACb,KAAK,MAAM,CAAC,IAAI,MAAM,CAAC,OAAO,EAAE,CAAC;gBAC/B,MAAM,KAAK,GAAG,CAAC,CAAC,UAAU,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC,GAAG,MAAM,CAAC,CAAC,UAAU,EAAE,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC,GAAG,EAAE,CAAC;gBAC/E,KAAK,CAAC,IAAI,CAAC,KAAK,KAAK,IAAI,CAAC,CAAC;gBAC3B,IAAI,CAAC,CAAC,UAAU,EAAE,CAAC;oBACjB,MAAM,OAAO,GAAG,MAAM,CAAC,OAAO,CAAC,CAAC,CAAC,UAAU,CAAC,CAAC;oBAC7C,KAAK,CAAC,IAAI,CAAC,mBAAmB,CAAC,CAAC;oBAChC,KAAK,CAAC,IAAI,CAAC,OAAO,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,EAAE,CAAC,OAAO,CAAC,KAAK,CAAC,EAAE,CAAC,CAAC,IAAI,CAAC,IAAI,CAAC,CAAC,CAAC;gBACnE,CAAC;gBACD,KAAK,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;YACjB,CAAC;QACH,CAAC;aAAM,CAAC;YACN,MAAM,KAAK,GAAG,MAAM,CAAC,OAAO,CAAC,GAAG,CAAC,CAAC,CAAC,EAAE,EAAE,CACrC,CAAC,CAAC,UAAU,CAAC,CAAC,CAAC,GAAG,CAAC,CAAC,GAAG,KAAK,CAAC,CAAC,UAAU,GAAG,CAAC,CAAC,CAAC,MAAM,CAAC,CAAC,CAAC,GAAG,CAAC,CAC5D,CAAC;YACF,KAAK,CAAC,IAAI,CAAC,SAAS,KAAK,CAAC,IAAI,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;QAC1C,CAAC;QAED,OAAO,CAAC,EAAE,IAAI,EAAE,MAAM,EAAE,IAAI,EAAE,KAAK,CAAC,IAAI,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;IACpD,CAAC;CACF,CAAC,CAAC"}
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"pubchem-client.d.ts","sourceRoot":"","sources":["../../../src/services/pubchem/pubchem-client.ts"],"names":[],"mappings":"AAAA;;;;GAIG;AAEH,OAAO,KAAK,EAGV,cAAc,EAEd,sBAAsB,EACtB,iBAAiB,EAQlB,MAAM,YAAY,CAAC;
|
|
1
|
+
{"version":3,"file":"pubchem-client.d.ts","sourceRoot":"","sources":["../../../src/services/pubchem/pubchem-client.ts"],"names":[],"mappings":"AAAA;;;;GAIG;AAEH,OAAO,KAAK,EAGV,cAAc,EAEd,sBAAsB,EACtB,iBAAiB,EAQlB,MAAM,YAAY,CAAC;AA4MpB,qBAAa,aAAa;IACxB,OAAO,CAAC,QAAQ,CAAC,OAAO,CAA+C;IACvE,OAAO,CAAC,QAAQ,CAAC,QAAQ,CAAoD;IAC7E,OAAO,CAAC,QAAQ,CAAC,WAAW,CAAsB;YAIpC,SAAS;YAgDT,WAAW;IAwBzB,wEAAwE;YAC1D,SAAS;IAWvB,qDAAqD;YACvC,WAAW;IAgBzB,YAAY,CAAC,IAAI,EAAE,MAAM,GAAG,OAAO,CAAC,MAAM,EAAE,CAAC;IAI7C,cAAc,CAAC,MAAM,EAAE,MAAM,GAAG,OAAO,CAAC,MAAM,EAAE,CAAC;IAQjD,gBAAgB,CAAC,QAAQ,EAAE,MAAM,GAAG,OAAO,CAAC,MAAM,EAAE,CAAC;IAMrD,eAAe,CAAC,OAAO,EAAE,MAAM,EAAE,UAAU,UAAQ,GAAG,OAAO,CAAC,MAAM,EAAE,CAAC;IAOvE,iBAAiB,CACf,IAAI,EAAE,cAAc,GAAG,gBAAgB,GAAG,YAAY,EACtD,KAAK,EAAE,MAAM,EACb,SAAS,EAAE,QAAQ,GAAG,KAAK,EAC3B,SAAS,CAAC,EAAE,MAAM,GACjB,OAAO,CAAC,MAAM,EAAE,CAAC;IA2Bd,aAAa,CACjB,IAAI,EAAE,MAAM,EAAE,EACd,UAAU,EAAE,MAAM,EAAE,GACnB,OAAO,CAAC,KAAK,CAAC,MAAM,CAAC,MAAM,EAAE,OAAO,CAAC,GAAG;QAAE,GAAG,EAAE,MAAM,CAAA;KAAE,CAAC,CAAC;IA0BtD,WAAW,CAAC,GAAG,EAAE,MAAM,GAAG,OAAO,CAAC,MAAM,EAAE,CAAC;IAYjD,QAAQ,CAAC,GAAG,EAAE,MAAM,EAAE,IAAI,GAAE,OAAO,GAAG,OAAiB,GAAG,OAAO,CAAC,WAAW,CAAC;IAKxE,QAAQ,CAAC,GAAG,EAAE,MAAM,EAAE,QAAQ,EAAE,MAAM,GAAG,OAAO,CAAC,CAAC,MAAM,GAAG,MAAM,CAAC,EAAE,CAAC;IAiBrE,cAAc,CAAC,GAAG,EAAE,MAAM,GAAG,OAAO,CAAC,KAAK,CAAC;QAAE,MAAM,CAAC,EAAE,MAAM,CAAC;QAAC,IAAI,EAAE,MAAM,CAAA;KAAE,CAAC,CAAC;IA8B9E,aAAa,CAAC,GAAG,EAAE,MAAM,GAAG,OAAO,CAAC,iBAAiB,GAAG,IAAI,CAAC;IAgE7D,iBAAiB,CAAC,GAAG,EAAE,MAAM,GAAG,OAAO,CAAC,sBAAsB,GAAG,IAAI,CAAC;IAwEtE,eAAe,CAAC,GAAG,EAAE,MAAM,GAAG,OAAO,CAAC,cAAc,EAAE,CAAC;IAY7D,OAAO,CAAC,eAAe;IA0EjB,oBAAoB,CAAC,UAAU,EAAE,MAAM,EAAE,KAAK,EAAE,MAAM,GAAG,OAAO,CAAC,MAAM,EAAE,CAAC;IAgB1E,gBAAgB,CACpB,UAAU,EAAE,MAAM,EAClB,UAAU,EAAE,MAAM,GAAG,MAAM,GAC1B,OAAO,CAAC,MAAM,CAAC,MAAM,EAAE,OAAO,CAAC,GAAG,IAAI,CAAC;CA+B3C;AAMD,wBAAgB,iBAAiB,IAAI,IAAI,CAExC;AAED,wBAAgB,gBAAgB,IAAI,aAAa,CAIhD"}
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@@ -133,19 +133,18 @@ function extractDescriptionItems(section) {
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133
133
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}
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134
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return items;
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135
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|
}
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136
|
-
/**
|
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-
function
|
|
136
|
+
/** Filter to first occurrence of each non-empty key. Empty keys are dropped. */
|
|
137
|
+
function dedupByKey(items, keyFn) {
|
|
138
138
|
const seen = new Set();
|
|
139
|
-
|
|
140
|
-
|
|
141
|
-
const key = item.text.toLowerCase().replace(/\s+/g, ' ').trim();
|
|
139
|
+
return items.filter((item) => {
|
|
140
|
+
const key = keyFn(item);
|
|
142
141
|
if (!key || seen.has(key))
|
|
143
|
-
|
|
142
|
+
return false;
|
|
144
143
|
seen.add(key);
|
|
145
|
-
|
|
146
|
-
}
|
|
147
|
-
return out;
|
|
144
|
+
return true;
|
|
145
|
+
});
|
|
148
146
|
}
|
|
147
|
+
const descriptionKey = (item) => item.text.toLowerCase().replace(/\s+/g, ' ').trim();
|
|
149
148
|
/** Extract GHS info items from a PUG View section */
|
|
150
149
|
function extractGHSInfo(section) {
|
|
151
150
|
const infos = [];
|
|
@@ -331,23 +330,17 @@ export class PubChemClient {
|
|
|
331
330
|
return [];
|
|
332
331
|
const propsPath = properties.join(',');
|
|
333
332
|
const cidStr = cids.join(',');
|
|
334
|
-
let rows;
|
|
335
333
|
// POST for large CID lists, GET for small ones
|
|
336
|
-
|
|
337
|
-
|
|
334
|
+
const data = cids.length > 50
|
|
335
|
+
? await this.fetchJson(`${this.pugBase}/compound/cid/property/${propsPath}/JSON`, {
|
|
338
336
|
method: 'POST',
|
|
339
337
|
headers: { 'Content-Type': 'application/x-www-form-urlencoded' },
|
|
340
338
|
body: new URLSearchParams({ cid: cidStr }).toString(),
|
|
341
|
-
})
|
|
342
|
-
|
|
343
|
-
}
|
|
344
|
-
else {
|
|
345
|
-
const data = await this.fetchJson(`${this.pugBase}/compound/cid/${cidStr}/property/${propsPath}/JSON`);
|
|
346
|
-
rows = data.PropertyTable.Properties;
|
|
347
|
-
}
|
|
339
|
+
})
|
|
340
|
+
: await this.fetchJson(`${this.pugBase}/compound/cid/${cidStr}/property/${propsPath}/JSON`);
|
|
348
341
|
// PubChem returns different field names than the request names for some properties.
|
|
349
342
|
// Normalize so consumers see the names they requested.
|
|
350
|
-
return
|
|
343
|
+
return data.PropertyTable.Properties.map(normalizePropertyNames);
|
|
351
344
|
}
|
|
352
345
|
async getSynonyms(cid) {
|
|
353
346
|
try {
|
|
@@ -395,7 +388,7 @@ export class PubChemClient {
|
|
|
395
388
|
refToSource.set(ref.ReferenceNumber, ref.SourceName);
|
|
396
389
|
}
|
|
397
390
|
const raw = extractDescriptionItems(descSection);
|
|
398
|
-
const deduped =
|
|
391
|
+
const deduped = dedupByKey(raw, descriptionKey);
|
|
399
392
|
return deduped.map((item) => {
|
|
400
393
|
const source = item.refNum != null ? refToSource.get(item.refNum) : undefined;
|
|
401
394
|
return source ? { source, text: item.text } : { text: item.text };
|
|
@@ -449,20 +442,8 @@ export class PubChemClient {
|
|
|
449
442
|
}
|
|
450
443
|
// Deduplicate across depositors
|
|
451
444
|
result.pictograms = [...new Set(result.pictograms)];
|
|
452
|
-
|
|
453
|
-
result.
|
|
454
|
-
if (seenH.has(h.code))
|
|
455
|
-
return false;
|
|
456
|
-
seenH.add(h.code);
|
|
457
|
-
return true;
|
|
458
|
-
});
|
|
459
|
-
const seenP = new Set();
|
|
460
|
-
result.precautionaryStatements = result.precautionaryStatements.filter((p) => {
|
|
461
|
-
if (seenP.has(p.code))
|
|
462
|
-
return false;
|
|
463
|
-
seenP.add(p.code);
|
|
464
|
-
return true;
|
|
465
|
-
});
|
|
445
|
+
result.hazardStatements = dedupByKey(result.hazardStatements, (h) => h.code);
|
|
446
|
+
result.precautionaryStatements = dedupByKey(result.precautionaryStatements, (p) => p.code);
|
|
466
447
|
// Extract source from references
|
|
467
448
|
const refs = data.Record.Reference;
|
|
468
449
|
if (refs?.[0]?.SourceName) {
|
|
@@ -532,14 +513,7 @@ export class PubChemClient {
|
|
|
532
513
|
result.atcCodes.push({ code: match[1] ?? '', description: desc });
|
|
533
514
|
}
|
|
534
515
|
}
|
|
535
|
-
|
|
536
|
-
const seen = new Set();
|
|
537
|
-
result.atcCodes = result.atcCodes.filter((a) => {
|
|
538
|
-
if (seen.has(a.code))
|
|
539
|
-
return false;
|
|
540
|
-
seen.add(a.code);
|
|
541
|
-
return true;
|
|
542
|
-
});
|
|
516
|
+
result.atcCodes = dedupByKey(result.atcCodes, (a) => a.code);
|
|
543
517
|
}
|
|
544
518
|
const hasData = result.fdaClasses.length > 0 ||
|
|
545
519
|
result.fdaMechanisms.length > 0 ||
|
|
@@ -1 +1 @@
|
|
|
1
|
-
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1
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package/package.json
CHANGED
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@@ -1,6 +1,6 @@
|
|
|
1
1
|
{
|
|
2
2
|
"name": "@cyanheads/pubchem-mcp-server",
|
|
3
|
-
"version": "0.1.
|
|
3
|
+
"version": "0.1.18",
|
|
4
4
|
"description": "MCP server for the PubChem chemical database. Search compounds, fetch properties, safety data, bioactivity, cross-references, and entity summaries. STDIO & Streamable HTTP.",
|
|
5
5
|
"mcpName": "io.github.cyanheads/pubchem-mcp-server",
|
|
6
6
|
"type": "module",
|
|
@@ -60,7 +60,7 @@
|
|
|
60
60
|
"access": "public"
|
|
61
61
|
},
|
|
62
62
|
"dependencies": {
|
|
63
|
-
"@cyanheads/mcp-ts-core": "^0.8.
|
|
63
|
+
"@cyanheads/mcp-ts-core": "^0.8.15",
|
|
64
64
|
"pino-pretty": "^13.1.3"
|
|
65
65
|
},
|
|
66
66
|
"devDependencies": {
|
package/server.json
CHANGED
|
@@ -6,7 +6,7 @@
|
|
|
6
6
|
"url": "https://github.com/cyanheads/pubchem-mcp-server",
|
|
7
7
|
"source": "github"
|
|
8
8
|
},
|
|
9
|
-
"version": "0.1.
|
|
9
|
+
"version": "0.1.18",
|
|
10
10
|
"remotes": [
|
|
11
11
|
{
|
|
12
12
|
"type": "streamable-http",
|
|
@@ -19,7 +19,7 @@
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|
|
19
19
|
"registryBaseUrl": "https://registry.npmjs.org",
|
|
20
20
|
"identifier": "@cyanheads/pubchem-mcp-server",
|
|
21
21
|
"runtimeHint": "bun",
|
|
22
|
-
"version": "0.1.
|
|
22
|
+
"version": "0.1.18",
|
|
23
23
|
"packageArguments": [
|
|
24
24
|
{ "type": "positional", "value": "run" },
|
|
25
25
|
{ "type": "positional", "value": "start:stdio" }
|
|
@@ -42,7 +42,7 @@
|
|
|
42
42
|
"registryBaseUrl": "https://registry.npmjs.org",
|
|
43
43
|
"identifier": "@cyanheads/pubchem-mcp-server",
|
|
44
44
|
"runtimeHint": "bun",
|
|
45
|
-
"version": "0.1.
|
|
45
|
+
"version": "0.1.18",
|
|
46
46
|
"packageArguments": [
|
|
47
47
|
{ "type": "positional", "value": "run" },
|
|
48
48
|
{ "type": "positional", "value": "start:http" }
|