@cyanheads/pubchem-mcp-server 0.4.1 → 0.4.3

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.
Files changed (55) hide show
  1. package/Dockerfile +11 -7
  2. package/LICENSE +1 -1
  3. package/README.md +1 -1
  4. package/dist/mcp-server/resources/definitions/assay.resource.d.ts.map +1 -1
  5. package/dist/mcp-server/resources/definitions/assay.resource.js +1 -1
  6. package/dist/mcp-server/resources/definitions/assay.resource.js.map +1 -1
  7. package/dist/mcp-server/resources/definitions/compound-bioactivity.resource.js +1 -1
  8. package/dist/mcp-server/resources/definitions/compound-bioactivity.resource.js.map +1 -1
  9. package/dist/mcp-server/resources/definitions/compound-image.resource.js +1 -1
  10. package/dist/mcp-server/resources/definitions/compound-image.resource.js.map +1 -1
  11. package/dist/mcp-server/resources/definitions/compound-safety.resource.d.ts.map +1 -1
  12. package/dist/mcp-server/resources/definitions/compound-safety.resource.js +13 -9
  13. package/dist/mcp-server/resources/definitions/compound-safety.resource.js.map +1 -1
  14. package/dist/mcp-server/resources/definitions/compound-xrefs.resource.js +1 -1
  15. package/dist/mcp-server/resources/definitions/compound-xrefs.resource.js.map +1 -1
  16. package/dist/mcp-server/resources/definitions/compound.resource.js +1 -1
  17. package/dist/mcp-server/resources/definitions/compound.resource.js.map +1 -1
  18. package/dist/mcp-server/resources/definitions/index.d.ts +3 -3
  19. package/dist/mcp-server/resources/definitions/index.d.ts.map +1 -1
  20. package/dist/mcp-server/tools/definitions/get-bioactivity.tool.d.ts +1 -1
  21. package/dist/mcp-server/tools/definitions/get-compound-3d-structure.tool.d.ts +1 -1
  22. package/dist/mcp-server/tools/definitions/get-compound-3d-structure.tool.js +2 -2
  23. package/dist/mcp-server/tools/definitions/get-compound-3d-structure.tool.js.map +1 -1
  24. package/dist/mcp-server/tools/definitions/get-compound-details.tool.d.ts.map +1 -1
  25. package/dist/mcp-server/tools/definitions/get-compound-details.tool.js +24 -10
  26. package/dist/mcp-server/tools/definitions/get-compound-details.tool.js.map +1 -1
  27. package/dist/mcp-server/tools/definitions/get-compound-image.tool.d.ts +1 -1
  28. package/dist/mcp-server/tools/definitions/get-compound-interactions.tool.d.ts +0 -1
  29. package/dist/mcp-server/tools/definitions/get-compound-interactions.tool.d.ts.map +1 -1
  30. package/dist/mcp-server/tools/definitions/get-compound-interactions.tool.js +1 -6
  31. package/dist/mcp-server/tools/definitions/get-compound-interactions.tool.js.map +1 -1
  32. package/dist/mcp-server/tools/definitions/get-compound-safety.tool.d.ts +6 -0
  33. package/dist/mcp-server/tools/definitions/get-compound-safety.tool.d.ts.map +1 -1
  34. package/dist/mcp-server/tools/definitions/get-compound-safety.tool.js +51 -22
  35. package/dist/mcp-server/tools/definitions/get-compound-safety.tool.js.map +1 -1
  36. package/dist/mcp-server/tools/definitions/get-compound-xrefs.tool.js +3 -3
  37. package/dist/mcp-server/tools/definitions/get-compound-xrefs.tool.js.map +1 -1
  38. package/dist/mcp-server/tools/definitions/get-summary.tool.d.ts.map +1 -1
  39. package/dist/mcp-server/tools/definitions/get-summary.tool.js +39 -9
  40. package/dist/mcp-server/tools/definitions/get-summary.tool.js.map +1 -1
  41. package/dist/mcp-server/tools/definitions/index.d.ts +200 -195
  42. package/dist/mcp-server/tools/definitions/index.d.ts.map +1 -1
  43. package/dist/mcp-server/tools/definitions/search-assays.tool.d.ts +2 -2
  44. package/dist/mcp-server/tools/definitions/search-compounds.tool.d.ts +6 -6
  45. package/dist/mcp-server/tools/definitions/search-compounds.tool.js.map +1 -1
  46. package/dist/services/pubchem/pubchem-client.d.ts +8 -2
  47. package/dist/services/pubchem/pubchem-client.d.ts.map +1 -1
  48. package/dist/services/pubchem/pubchem-client.js +90 -23
  49. package/dist/services/pubchem/pubchem-client.js.map +1 -1
  50. package/dist/services/pubchem/types.d.ts +24 -6
  51. package/dist/services/pubchem/types.d.ts.map +1 -1
  52. package/dist/services/pubchem/types.js.map +1 -1
  53. package/manifest.json +1 -1
  54. package/package.json +11 -10
  55. package/server.json +3 -3
package/Dockerfile CHANGED
@@ -4,15 +4,17 @@
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  # This stage installs all dependencies (including dev), builds the TypeScript
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  # source code into JavaScript, and prepares the production assets.
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  # ==============================================================================
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- FROM oven/bun:1.3 AS build
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+ FROM oven/bun:1.3.14 AS build
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  WORKDIR /usr/src/app
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  # Copy dependency manifests for optimized layer caching
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  COPY package.json bun.lock ./
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- # Install all dependencies (including dev dependencies for building)
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- RUN bun install --frozen-lockfile
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+ # Install all dependencies (including dev dependencies for building).
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+ # The BuildKit cache mount persists Bun's global package cache across builds.
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+ RUN --mount=type=cache,target=/root/.bun/install/cache \
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+ bun install --frozen-lockfile --ignore-scripts
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  # Copy the rest of the source code
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  COPY . .
@@ -28,7 +30,7 @@ RUN bun run build
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  # application. It uses a slim base image and only includes production
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  # dependencies and build artifacts.
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  # ==============================================================================
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- FROM oven/bun:1.3-slim AS production
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+ FROM oven/bun:1.3.14-slim AS production
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  WORKDIR /usr/src/app
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@@ -51,15 +53,17 @@ COPY package.json bun.lock ./
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  # that are not needed in the final production image.
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  # Remove platform-specific bun/rollup binaries pulled as optionalDependencies
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  # by @modelcontextprotocol/ext-apps — only needed for its build toolchain, not runtime.
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- RUN bun install --production --frozen-lockfile --ignore-scripts \
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+ RUN --mount=type=cache,target=/root/.bun/install/cache \
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+ bun install --production --frozen-lockfile --ignore-scripts \
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  && rm -rf node_modules/@oven node_modules/@rollup
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  # Conditionally install OpenTelemetry optional peer dependencies (Tier 3).
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  # These are not bundled by default to keep the base image lean. Enable at build time
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  # with: docker build --build-arg OTEL_ENABLED=true
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  ARG OTEL_ENABLED=true
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- RUN if [ "$OTEL_ENABLED" = "true" ]; then \
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- bun add @hono/otel \
64
+ RUN --mount=type=cache,target=/root/.bun/install/cache \
65
+ if [ "$OTEL_ENABLED" = "true" ]; then \
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+ bun add --omit=dev --ignore-scripts @hono/otel \
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  @opentelemetry/instrumentation-http \
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  @opentelemetry/exporter-metrics-otlp-http \
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  @opentelemetry/exporter-trace-otlp-http \
package/LICENSE CHANGED
@@ -175,7 +175,7 @@
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  END OF TERMS AND CONDITIONS
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- Copyright 2025 Casey Hand (cyanheads)
178
+ Copyright 2025 Casey Hand @cyanheads
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  Licensed under the Apache License, Version 2.0 (the "License");
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  you may not use this file except in compliance with the License.
package/README.md CHANGED
@@ -7,7 +7,7 @@
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  <div align="center">
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- [![Version](https://img.shields.io/badge/Version-0.4.1-blue.svg?style=flat-square)](./CHANGELOG.md) [![License](https://img.shields.io/badge/License-Apache%202.0-orange.svg?style=flat-square)](./LICENSE) [![Docker](https://img.shields.io/badge/Docker-ghcr.io-2496ED?style=flat-square&logo=docker&logoColor=white)](https://github.com/users/cyanheads/packages/container/package/pubchem-mcp-server) [![MCP SDK](https://img.shields.io/badge/MCP%20SDK-^1.29.0-green.svg?style=flat-square)](https://modelcontextprotocol.io/) [![npm](https://img.shields.io/npm/v/@cyanheads/pubchem-mcp-server?style=flat-square&logo=npm&logoColor=white)](https://www.npmjs.com/package/@cyanheads/pubchem-mcp-server) [![TypeScript](https://img.shields.io/badge/TypeScript-^6.0.3-3178C6.svg?style=flat-square)](https://www.typescriptlang.org/) [![Bun](https://img.shields.io/badge/Bun-^1.3.0-f472b6.svg?style=flat-square)](https://bun.sh/)
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+ [![Version](https://img.shields.io/badge/Version-0.4.3-blue.svg?style=flat-square)](./CHANGELOG.md) [![License](https://img.shields.io/badge/License-Apache%202.0-orange.svg?style=flat-square)](./LICENSE) [![Docker](https://img.shields.io/badge/Docker-ghcr.io-2496ED?style=flat-square&logo=docker&logoColor=white)](https://github.com/users/cyanheads/packages/container/package/pubchem-mcp-server) [![MCP SDK](https://img.shields.io/badge/MCP%20SDK-^1.29.0-green.svg?style=flat-square)](https://modelcontextprotocol.io/) [![npm](https://img.shields.io/npm/v/@cyanheads/pubchem-mcp-server?style=flat-square&logo=npm&logoColor=white)](https://www.npmjs.com/package/@cyanheads/pubchem-mcp-server) [![TypeScript](https://img.shields.io/badge/TypeScript-^7.0.2-3178C6.svg?style=flat-square)](https://www.typescriptlang.org/) [![Bun](https://img.shields.io/badge/Bun-^1.3.0-f472b6.svg?style=flat-square)](https://bun.sh/)
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  </div>
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@@ -1 +1 @@
1
- {"version":3,"file":"assay.resource.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/resources/definitions/assay.resource.ts"],"names":[],"mappings":"AAAA;;;GAGG;AAEH,OAAO,EAAY,CAAC,EAAE,MAAM,wBAAwB,CAAC;AAIrD,eAAO,MAAM,aAAa;;wCAgBxB,CAAC"}
1
+ {"version":3,"file":"assay.resource.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/resources/definitions/assay.resource.ts"],"names":[],"mappings":"AAAA;;;GAGG;AAEH,OAAO,EAAY,CAAC,EAAE,MAAM,wBAAwB,CAAC;AAIrD,eAAO,MAAM,aAAa;;wCAiBxB,CAAC"}
@@ -7,7 +7,7 @@ import { notFound } from '@cyanheads/mcp-ts-core/errors';
7
7
  import { getPubChemClient } from '../../../services/pubchem/pubchem-client.js';
8
8
  export const assayResource = resource('pubchem://assay/{aid}', {
9
9
  name: 'pubchem-assay',
10
- description: 'Summary for a PubChem BioAssay by AID (mirrors pubchem_get_summary for assays).',
10
+ description: 'Summary for a PubChem BioAssay by AID name, description, source, protocol, and substance counts.',
11
11
  mimeType: 'application/json',
12
12
  params: z.object({
13
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  aid: z.coerce.number().int().positive().describe('PubChem Assay ID.'),
@@ -1 +1 @@
1
- {"version":3,"file":"assay.resource.js","sourceRoot":"","sources":["../../../../src/mcp-server/resources/definitions/assay.resource.ts"],"names":[],"mappings":"AAAA;;;GAGG;AAEH,OAAO,EAAE,QAAQ,EAAE,CAAC,EAAE,MAAM,wBAAwB,CAAC;AACrD,OAAO,EAAE,QAAQ,EAAE,MAAM,+BAA+B,CAAC;AACzD,OAAO,EAAE,gBAAgB,EAAE,MAAM,sCAAsC,CAAC;AAExE,MAAM,CAAC,MAAM,aAAa,GAAG,QAAQ,CAAC,uBAAuB,EAAE;IAC7D,IAAI,EAAE,eAAe;IACrB,WAAW,EAAE,iFAAiF;IAC9F,QAAQ,EAAE,kBAAkB;IAC5B,MAAM,EAAE,CAAC,CAAC,MAAM,CAAC;QACf,GAAG,EAAE,CAAC,CAAC,MAAM,CAAC,MAAM,EAAE,CAAC,GAAG,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,mBAAmB,CAAC;KACtE,CAAC;IAEF,KAAK,CAAC,OAAO,CAAC,MAAM;QAClB,MAAM,MAAM,GAAG,gBAAgB,EAAE,CAAC;QAClC,MAAM,OAAO,GAAG,MAAM,MAAM,CAAC,gBAAgB,CAAC,OAAO,EAAE,MAAM,CAAC,GAAG,CAAC,CAAC;QACnE,IAAI,CAAC,OAAO,EAAE,CAAC;YACb,MAAM,QAAQ,CAAC,kCAAkC,MAAM,CAAC,GAAG,GAAG,EAAE,EAAE,GAAG,EAAE,MAAM,CAAC,GAAG,EAAE,CAAC,CAAC;QACvF,CAAC;QACD,OAAO,EAAE,GAAG,EAAE,MAAM,CAAC,GAAG,EAAE,OAAO,EAAE,CAAC;IACtC,CAAC;CACF,CAAC,CAAC"}
1
+ {"version":3,"file":"assay.resource.js","sourceRoot":"","sources":["../../../../src/mcp-server/resources/definitions/assay.resource.ts"],"names":[],"mappings":"AAAA;;;GAGG;AAEH,OAAO,EAAE,QAAQ,EAAE,CAAC,EAAE,MAAM,wBAAwB,CAAC;AACrD,OAAO,EAAE,QAAQ,EAAE,MAAM,+BAA+B,CAAC;AACzD,OAAO,EAAE,gBAAgB,EAAE,MAAM,sCAAsC,CAAC;AAExE,MAAM,CAAC,MAAM,aAAa,GAAG,QAAQ,CAAC,uBAAuB,EAAE;IAC7D,IAAI,EAAE,eAAe;IACrB,WAAW,EACT,oGAAoG;IACtG,QAAQ,EAAE,kBAAkB;IAC5B,MAAM,EAAE,CAAC,CAAC,MAAM,CAAC;QACf,GAAG,EAAE,CAAC,CAAC,MAAM,CAAC,MAAM,EAAE,CAAC,GAAG,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,mBAAmB,CAAC;KACtE,CAAC;IAEF,KAAK,CAAC,OAAO,CAAC,MAAM;QAClB,MAAM,MAAM,GAAG,gBAAgB,EAAE,CAAC;QAClC,MAAM,OAAO,GAAG,MAAM,MAAM,CAAC,gBAAgB,CAAC,OAAO,EAAE,MAAM,CAAC,GAAG,CAAC,CAAC;QACnE,IAAI,CAAC,OAAO,EAAE,CAAC;YACb,MAAM,QAAQ,CAAC,kCAAkC,MAAM,CAAC,GAAG,GAAG,EAAE,EAAE,GAAG,EAAE,MAAM,CAAC,GAAG,EAAE,CAAC,CAAC;QACvF,CAAC;QACD,OAAO,EAAE,GAAG,EAAE,MAAM,CAAC,GAAG,EAAE,OAAO,EAAE,CAAC;IACtC,CAAC;CACF,CAAC,CAAC"}
@@ -8,7 +8,7 @@ import { getPubChemClient } from '../../../services/pubchem/pubchem-client.js';
8
8
  const MAX_RESULTS = 25;
9
9
  export const compoundBioactivityResource = resource('pubchem://compound/{cid}/bioactivity', {
10
10
  name: 'pubchem-compound-bioactivity',
11
- description: 'Bioassay activity profile for a PubChem compound by CID (mirrors pubchem_get_bioactivity). Returns up to 25 assays; use the tool to filter and page.',
11
+ description: 'Bioassay activity profile for a PubChem compound by CID. Returns up to 25 assays; use pubchem_get_bioactivity to filter by outcome or molecular target and to raise the cap.',
12
12
  mimeType: 'application/json',
13
13
  params: z.object({
14
14
  cid: z.coerce.number().int().positive().describe('PubChem Compound ID.'),
@@ -1 +1 @@
1
- {"version":3,"file":"compound-bioactivity.resource.js","sourceRoot":"","sources":["../../../../src/mcp-server/resources/definitions/compound-bioactivity.resource.ts"],"names":[],"mappings":"AAAA;;;GAGG;AAEH,OAAO,EAAE,QAAQ,EAAE,CAAC,EAAE,MAAM,wBAAwB,CAAC;AACrD,OAAO,EAAE,gBAAgB,EAAE,MAAM,sCAAsC,CAAC;AAExE,gGAAgG;AAChG,MAAM,WAAW,GAAG,EAAE,CAAC;AAEvB,MAAM,CAAC,MAAM,2BAA2B,GAAG,QAAQ,CAAC,sCAAsC,EAAE;IAC1F,IAAI,EAAE,8BAA8B;IACpC,WAAW,EACT,sJAAsJ;IACxJ,QAAQ,EAAE,kBAAkB;IAC5B,MAAM,EAAE,CAAC,CAAC,MAAM,CAAC;QACf,GAAG,EAAE,CAAC,CAAC,MAAM,CAAC,MAAM,EAAE,CAAC,GAAG,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,sBAAsB,CAAC;KACzE,CAAC;IAEF,KAAK,CAAC,OAAO,CAAC,MAAM;QAClB,MAAM,MAAM,GAAG,gBAAgB,EAAE,CAAC;QAClC,MAAM,IAAI,GAAG,MAAM,MAAM,CAAC,eAAe,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC;QACtD,MAAM,WAAW,GAAG,IAAI,CAAC,MAAM,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,OAAO,KAAK,QAAQ,CAAC,CAAC,MAAM,CAAC;QACtE,OAAO;YACL,GAAG,EAAE,MAAM,CAAC,GAAG;YACf,WAAW,EAAE,IAAI,CAAC,MAAM;YACxB,WAAW;YACX,OAAO,EAAE,IAAI,CAAC,KAAK,CAAC,CAAC,EAAE,WAAW,CAAC;SACpC,CAAC;IACJ,CAAC;CACF,CAAC,CAAC"}
1
+ {"version":3,"file":"compound-bioactivity.resource.js","sourceRoot":"","sources":["../../../../src/mcp-server/resources/definitions/compound-bioactivity.resource.ts"],"names":[],"mappings":"AAAA;;;GAGG;AAEH,OAAO,EAAE,QAAQ,EAAE,CAAC,EAAE,MAAM,wBAAwB,CAAC;AACrD,OAAO,EAAE,gBAAgB,EAAE,MAAM,sCAAsC,CAAC;AAExE,gGAAgG;AAChG,MAAM,WAAW,GAAG,EAAE,CAAC;AAEvB,MAAM,CAAC,MAAM,2BAA2B,GAAG,QAAQ,CAAC,sCAAsC,EAAE;IAC1F,IAAI,EAAE,8BAA8B;IACpC,WAAW,EACT,8KAA8K;IAChL,QAAQ,EAAE,kBAAkB;IAC5B,MAAM,EAAE,CAAC,CAAC,MAAM,CAAC;QACf,GAAG,EAAE,CAAC,CAAC,MAAM,CAAC,MAAM,EAAE,CAAC,GAAG,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,sBAAsB,CAAC;KACzE,CAAC;IAEF,KAAK,CAAC,OAAO,CAAC,MAAM;QAClB,MAAM,MAAM,GAAG,gBAAgB,EAAE,CAAC;QAClC,MAAM,IAAI,GAAG,MAAM,MAAM,CAAC,eAAe,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC;QACtD,MAAM,WAAW,GAAG,IAAI,CAAC,MAAM,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,OAAO,KAAK,QAAQ,CAAC,CAAC,MAAM,CAAC;QACtE,OAAO;YACL,GAAG,EAAE,MAAM,CAAC,GAAG;YACf,WAAW,EAAE,IAAI,CAAC,MAAM;YACxB,WAAW;YACX,OAAO,EAAE,IAAI,CAAC,KAAK,CAAC,CAAC,EAAE,WAAW,CAAC;SACpC,CAAC;IACJ,CAAC;CACF,CAAC,CAAC"}
@@ -6,7 +6,7 @@ import { resource, z } from '@cyanheads/mcp-ts-core';
6
6
  import { getPubChemClient } from '../../../services/pubchem/pubchem-client.js';
7
7
  export const compoundImageResource = resource('pubchem://compound/{cid}/image', {
8
8
  name: 'pubchem-compound-image',
9
- description: 'A 2D structure diagram (PNG) for a PubChem compound by CID (mirrors pubchem_get_compound_image).',
9
+ description: 'A 2D structure diagram (PNG, 300x300) for a PubChem compound by CID. Use pubchem_get_compound_image to choose the image size.',
10
10
  mimeType: 'image/png',
11
11
  params: z.object({
12
12
  cid: z.coerce.number().int().positive().describe('PubChem Compound ID.'),
@@ -1 +1 @@
1
- {"version":3,"file":"compound-image.resource.js","sourceRoot":"","sources":["../../../../src/mcp-server/resources/definitions/compound-image.resource.ts"],"names":[],"mappings":"AAAA;;;GAGG;AAEH,OAAO,EAAE,QAAQ,EAAE,CAAC,EAAE,MAAM,wBAAwB,CAAC;AACrD,OAAO,EAAE,gBAAgB,EAAE,MAAM,sCAAsC,CAAC;AAExE,MAAM,CAAC,MAAM,qBAAqB,GAAG,QAAQ,CAAC,gCAAgC,EAAE;IAC9E,IAAI,EAAE,wBAAwB;IAC9B,WAAW,EACT,kGAAkG;IACpG,QAAQ,EAAE,WAAW;IACrB,MAAM,EAAE,CAAC,CAAC,MAAM,CAAC;QACf,GAAG,EAAE,CAAC,CAAC,MAAM,CAAC,MAAM,EAAE,CAAC,GAAG,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,sBAAsB,CAAC;KACzE,CAAC;IACF,MAAM,EAAE,CAAC,CAAC,MAAM,CAAC;QACf,MAAM,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,gCAAgC,CAAC;KAC9D,CAAC;IAEF,KAAK,CAAC,OAAO,CAAC,MAAM;QAClB,MAAM,MAAM,GAAG,gBAAgB,EAAE,CAAC;QAClC,MAAM,MAAM,GAAG,MAAM,MAAM,CAAC,QAAQ,CAAC,MAAM,CAAC,GAAG,EAAE,OAAO,CAAC,CAAC;QAC1D,OAAO,EAAE,MAAM,EAAE,MAAM,CAAC,IAAI,CAAC,MAAM,CAAC,CAAC,QAAQ,CAAC,QAAQ,CAAC,EAAE,CAAC;IAC5D,CAAC;IAED,mFAAmF;IACnF,MAAM,CAAC,MAAM,EAAE,IAAI;QACjB,MAAM,EAAE,MAAM,EAAE,GAAG,MAA4B,CAAC;QAChD,OAAO,CAAC,EAAE,GAAG,EAAE,IAAI,CAAC,GAAG,CAAC,IAAI,EAAE,QAAQ,EAAE,IAAI,CAAC,QAAQ,EAAE,IAAI,EAAE,MAAM,EAAE,CAAC,CAAC;IACzE,CAAC;CACF,CAAC,CAAC"}
1
+ {"version":3,"file":"compound-image.resource.js","sourceRoot":"","sources":["../../../../src/mcp-server/resources/definitions/compound-image.resource.ts"],"names":[],"mappings":"AAAA;;;GAGG;AAEH,OAAO,EAAE,QAAQ,EAAE,CAAC,EAAE,MAAM,wBAAwB,CAAC;AACrD,OAAO,EAAE,gBAAgB,EAAE,MAAM,sCAAsC,CAAC;AAExE,MAAM,CAAC,MAAM,qBAAqB,GAAG,QAAQ,CAAC,gCAAgC,EAAE;IAC9E,IAAI,EAAE,wBAAwB;IAC9B,WAAW,EACT,+HAA+H;IACjI,QAAQ,EAAE,WAAW;IACrB,MAAM,EAAE,CAAC,CAAC,MAAM,CAAC;QACf,GAAG,EAAE,CAAC,CAAC,MAAM,CAAC,MAAM,EAAE,CAAC,GAAG,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,sBAAsB,CAAC;KACzE,CAAC;IACF,MAAM,EAAE,CAAC,CAAC,MAAM,CAAC;QACf,MAAM,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,QAAQ,CAAC,gCAAgC,CAAC;KAC9D,CAAC;IAEF,KAAK,CAAC,OAAO,CAAC,MAAM;QAClB,MAAM,MAAM,GAAG,gBAAgB,EAAE,CAAC;QAClC,MAAM,MAAM,GAAG,MAAM,MAAM,CAAC,QAAQ,CAAC,MAAM,CAAC,GAAG,EAAE,OAAO,CAAC,CAAC;QAC1D,OAAO,EAAE,MAAM,EAAE,MAAM,CAAC,IAAI,CAAC,MAAM,CAAC,CAAC,QAAQ,CAAC,QAAQ,CAAC,EAAE,CAAC;IAC5D,CAAC;IAED,mFAAmF;IACnF,MAAM,CAAC,MAAM,EAAE,IAAI;QACjB,MAAM,EAAE,MAAM,EAAE,GAAG,MAA4B,CAAC;QAChD,OAAO,CAAC,EAAE,GAAG,EAAE,IAAI,CAAC,GAAG,CAAC,IAAI,EAAE,QAAQ,EAAE,IAAI,CAAC,QAAQ,EAAE,IAAI,EAAE,MAAM,EAAE,CAAC,CAAC;IACzE,CAAC;CACF,CAAC,CAAC"}
@@ -1 +1 @@
1
- {"version":3,"file":"compound-safety.resource.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/resources/definitions/compound-safety.resource.ts"],"names":[],"mappings":"AAAA;;;GAGG;AAEH,OAAO,EAAY,CAAC,EAAE,MAAM,wBAAwB,CAAC;AAGrD,eAAO,MAAM,sBAAsB;;wCAyBjC,CAAC"}
1
+ {"version":3,"file":"compound-safety.resource.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/resources/definitions/compound-safety.resource.ts"],"names":[],"mappings":"AAAA;;;GAGG;AAEH,OAAO,EAAY,CAAC,EAAE,MAAM,wBAAwB,CAAC;AAGrD,eAAO,MAAM,sBAAsB;;wCA8BjC,CAAC"}
@@ -6,26 +6,30 @@ import { resource, z } from '@cyanheads/mcp-ts-core';
6
6
  import { getPubChemClient } from '../../../services/pubchem/pubchem-client.js';
7
7
  export const compoundSafetyResource = resource('pubchem://compound/{cid}/safety', {
8
8
  name: 'pubchem-compound-safety',
9
- description: 'GHS hazard classification for a PubChem compound by CID (mirrors pubchem_get_compound_safety).',
9
+ description: 'GHS hazard classification for a PubChem compound by CID — signal word, pictograms, hazard (H) and precautionary (P) statements. Not every compound carries a deposited classification.',
10
10
  mimeType: 'application/json',
11
11
  params: z.object({
12
12
  cid: z.coerce.number().int().positive().describe('PubChem Compound ID.'),
13
13
  }),
14
14
  async handler(params) {
15
15
  const client = getPubChemClient();
16
- const data = await client.getSafetyData(params.cid);
17
- if (!data)
18
- return { cid: params.cid, hasData: false };
16
+ const lookup = await client.getSafetyData(params.cid);
17
+ // A resource returns raw JSON with no notice surface, so `status` is the only way a reader
18
+ // can tell a mistyped CID from a compound that genuinely carries no GHS classification.
19
+ if (lookup.status !== 'ok') {
20
+ return { cid: params.cid, hasData: false, status: lookup.status };
21
+ }
19
22
  return {
20
23
  cid: params.cid,
21
24
  hasData: true,
25
+ status: lookup.status,
22
26
  ghs: {
23
- signalWord: data.signalWord,
24
- pictograms: data.pictograms,
25
- hazardStatements: data.hazardStatements,
26
- precautionaryStatements: data.precautionaryStatements,
27
+ signalWord: lookup.ghs.signalWord,
28
+ pictograms: lookup.ghs.pictograms,
29
+ hazardStatements: lookup.ghs.hazardStatements,
30
+ precautionaryStatements: lookup.ghs.precautionaryStatements,
27
31
  },
28
- source: data.source,
32
+ source: lookup.ghs.source,
29
33
  };
30
34
  },
31
35
  });
@@ -1 +1 @@
1
- {"version":3,"file":"compound-safety.resource.js","sourceRoot":"","sources":["../../../../src/mcp-server/resources/definitions/compound-safety.resource.ts"],"names":[],"mappings":"AAAA;;;GAGG;AAEH,OAAO,EAAE,QAAQ,EAAE,CAAC,EAAE,MAAM,wBAAwB,CAAC;AACrD,OAAO,EAAE,gBAAgB,EAAE,MAAM,sCAAsC,CAAC;AAExE,MAAM,CAAC,MAAM,sBAAsB,GAAG,QAAQ,CAAC,iCAAiC,EAAE;IAChF,IAAI,EAAE,yBAAyB;IAC/B,WAAW,EACT,gGAAgG;IAClG,QAAQ,EAAE,kBAAkB;IAC5B,MAAM,EAAE,CAAC,CAAC,MAAM,CAAC;QACf,GAAG,EAAE,CAAC,CAAC,MAAM,CAAC,MAAM,EAAE,CAAC,GAAG,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,sBAAsB,CAAC;KACzE,CAAC;IAEF,KAAK,CAAC,OAAO,CAAC,MAAM;QAClB,MAAM,MAAM,GAAG,gBAAgB,EAAE,CAAC;QAClC,MAAM,IAAI,GAAG,MAAM,MAAM,CAAC,aAAa,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC;QACpD,IAAI,CAAC,IAAI;YAAE,OAAO,EAAE,GAAG,EAAE,MAAM,CAAC,GAAG,EAAE,OAAO,EAAE,KAAK,EAAE,CAAC;QACtD,OAAO;YACL,GAAG,EAAE,MAAM,CAAC,GAAG;YACf,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;CACF,CAAC,CAAC"}
1
+ {"version":3,"file":"compound-safety.resource.js","sourceRoot":"","sources":["../../../../src/mcp-server/resources/definitions/compound-safety.resource.ts"],"names":[],"mappings":"AAAA;;;GAGG;AAEH,OAAO,EAAE,QAAQ,EAAE,CAAC,EAAE,MAAM,wBAAwB,CAAC;AACrD,OAAO,EAAE,gBAAgB,EAAE,MAAM,sCAAsC,CAAC;AAExE,MAAM,CAAC,MAAM,sBAAsB,GAAG,QAAQ,CAAC,iCAAiC,EAAE;IAChF,IAAI,EAAE,yBAAyB;IAC/B,WAAW,EACT,wLAAwL;IAC1L,QAAQ,EAAE,kBAAkB;IAC5B,MAAM,EAAE,CAAC,CAAC,MAAM,CAAC;QACf,GAAG,EAAE,CAAC,CAAC,MAAM,CAAC,MAAM,EAAE,CAAC,GAAG,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,sBAAsB,CAAC;KACzE,CAAC;IAEF,KAAK,CAAC,OAAO,CAAC,MAAM;QAClB,MAAM,MAAM,GAAG,gBAAgB,EAAE,CAAC;QAClC,MAAM,MAAM,GAAG,MAAM,MAAM,CAAC,aAAa,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC;QACtD,2FAA2F;QAC3F,wFAAwF;QACxF,IAAI,MAAM,CAAC,MAAM,KAAK,IAAI,EAAE,CAAC;YAC3B,OAAO,EAAE,GAAG,EAAE,MAAM,CAAC,GAAG,EAAE,OAAO,EAAE,KAAK,EAAE,MAAM,EAAE,MAAM,CAAC,MAAM,EAAE,CAAC;QACpE,CAAC;QACD,OAAO;YACL,GAAG,EAAE,MAAM,CAAC,GAAG;YACf,OAAO,EAAE,IAAI;YACb,MAAM,EAAE,MAAM,CAAC,MAAM;YACrB,GAAG,EAAE;gBACH,UAAU,EAAE,MAAM,CAAC,GAAG,CAAC,UAAU;gBACjC,UAAU,EAAE,MAAM,CAAC,GAAG,CAAC,UAAU;gBACjC,gBAAgB,EAAE,MAAM,CAAC,GAAG,CAAC,gBAAgB;gBAC7C,uBAAuB,EAAE,MAAM,CAAC,GAAG,CAAC,uBAAuB;aAC5D;YACD,MAAM,EAAE,MAAM,CAAC,GAAG,CAAC,MAAM;SAC1B,CAAC;IACJ,CAAC;CACF,CAAC,CAAC"}
@@ -9,7 +9,7 @@ const RESOURCE_XREF_TYPES = ['RN', 'RegistryID', 'PubMedID'];
9
9
  const MAX_PER_TYPE = 25;
10
10
  export const compoundXrefsResource = resource('pubchem://compound/{cid}/xrefs', {
11
11
  name: 'pubchem-compound-xrefs',
12
- description: 'External cross-references (CAS RN, registry IDs, PubMed) for a PubChem compound by CID (mirrors pubchem_get_compound_xrefs). Use the tool for the full set of xref types.',
12
+ description: 'External cross-references (CAS RN, registry IDs, PubMed) for a PubChem compound by CID, up to 25 per type. Use pubchem_get_compound_xrefs for the full set of xref types and a higher per-type cap.',
13
13
  mimeType: 'application/json',
14
14
  params: z.object({
15
15
  cid: z.coerce.number().int().positive().describe('PubChem Compound ID.'),
@@ -1 +1 @@
1
- {"version":3,"file":"compound-xrefs.resource.js","sourceRoot":"","sources":["../../../../src/mcp-server/resources/definitions/compound-xrefs.resource.ts"],"names":[],"mappings":"AAAA;;;GAGG;AAEH,OAAO,EAAE,QAAQ,EAAE,CAAC,EAAE,MAAM,wBAAwB,CAAC;AACrD,OAAO,EAAE,gBAAgB,EAAE,MAAM,sCAAsC,CAAC;AAExE,0FAA0F;AAC1F,MAAM,mBAAmB,GAAG,CAAC,IAAI,EAAE,YAAY,EAAE,UAAU,CAAU,CAAC;AACtE,MAAM,YAAY,GAAG,EAAE,CAAC;AAExB,MAAM,CAAC,MAAM,qBAAqB,GAAG,QAAQ,CAAC,gCAAgC,EAAE;IAC9E,IAAI,EAAE,wBAAwB;IAC9B,WAAW,EACT,2KAA2K;IAC7K,QAAQ,EAAE,kBAAkB;IAC5B,MAAM,EAAE,CAAC,CAAC,MAAM,CAAC;QACf,GAAG,EAAE,CAAC,CAAC,MAAM,CAAC,MAAM,EAAE,CAAC,GAAG,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,sBAAsB,CAAC;KACzE,CAAC;IAEF,KAAK,CAAC,OAAO,CAAC,MAAM;QAClB,MAAM,MAAM,GAAG,gBAAgB,EAAE,CAAC;QAClC,MAAM,KAAK,GAA8E,EAAE,CAAC;QAC5F,KAAK,MAAM,IAAI,IAAI,mBAAmB,EAAE,CAAC;YACvC,MAAM,GAAG,GAAG,MAAM,MAAM,CAAC,QAAQ,CAAC,MAAM,CAAC,GAAG,EAAE,IAAI,CAAC,CAAC;YACpD,IAAI,GAAG,CAAC,MAAM,GAAG,CAAC,EAAE,CAAC;gBACnB,KAAK,CAAC,IAAI,CAAC,EAAE,IAAI,EAAE,GAAG,EAAE,GAAG,CAAC,KAAK,CAAC,CAAC,EAAE,YAAY,CAAC,EAAE,cAAc,EAAE,GAAG,CAAC,MAAM,EAAE,CAAC,CAAC;YACpF,CAAC;QACH,CAAC;QACD,OAAO,EAAE,GAAG,EAAE,MAAM,CAAC,GAAG,EAAE,KAAK,EAAE,CAAC;IACpC,CAAC;CACF,CAAC,CAAC"}
1
+ {"version":3,"file":"compound-xrefs.resource.js","sourceRoot":"","sources":["../../../../src/mcp-server/resources/definitions/compound-xrefs.resource.ts"],"names":[],"mappings":"AAAA;;;GAGG;AAEH,OAAO,EAAE,QAAQ,EAAE,CAAC,EAAE,MAAM,wBAAwB,CAAC;AACrD,OAAO,EAAE,gBAAgB,EAAE,MAAM,sCAAsC,CAAC;AAExE,0FAA0F;AAC1F,MAAM,mBAAmB,GAAG,CAAC,IAAI,EAAE,YAAY,EAAE,UAAU,CAAU,CAAC;AACtE,MAAM,YAAY,GAAG,EAAE,CAAC;AAExB,MAAM,CAAC,MAAM,qBAAqB,GAAG,QAAQ,CAAC,gCAAgC,EAAE;IAC9E,IAAI,EAAE,wBAAwB;IAC9B,WAAW,EACT,qMAAqM;IACvM,QAAQ,EAAE,kBAAkB;IAC5B,MAAM,EAAE,CAAC,CAAC,MAAM,CAAC;QACf,GAAG,EAAE,CAAC,CAAC,MAAM,CAAC,MAAM,EAAE,CAAC,GAAG,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,sBAAsB,CAAC;KACzE,CAAC;IAEF,KAAK,CAAC,OAAO,CAAC,MAAM;QAClB,MAAM,MAAM,GAAG,gBAAgB,EAAE,CAAC;QAClC,MAAM,KAAK,GAA8E,EAAE,CAAC;QAC5F,KAAK,MAAM,IAAI,IAAI,mBAAmB,EAAE,CAAC;YACvC,MAAM,GAAG,GAAG,MAAM,MAAM,CAAC,QAAQ,CAAC,MAAM,CAAC,GAAG,EAAE,IAAI,CAAC,CAAC;YACpD,IAAI,GAAG,CAAC,MAAM,GAAG,CAAC,EAAE,CAAC;gBACnB,KAAK,CAAC,IAAI,CAAC,EAAE,IAAI,EAAE,GAAG,EAAE,GAAG,CAAC,KAAK,CAAC,CAAC,EAAE,YAAY,CAAC,EAAE,cAAc,EAAE,GAAG,CAAC,MAAM,EAAE,CAAC,CAAC;YACpF,CAAC;QACH,CAAC;QACD,OAAO,EAAE,GAAG,EAAE,MAAM,CAAC,GAAG,EAAE,KAAK,EAAE,CAAC;IACpC,CAAC;CACF,CAAC,CAAC"}
@@ -8,7 +8,7 @@ import { getPubChemClient } from '../../../services/pubchem/pubchem-client.js';
8
8
  import { DEFAULT_PROPERTIES } from '../../../services/pubchem/types.js';
9
9
  export const compoundResource = resource('pubchem://compound/{cid}', {
10
10
  name: 'pubchem-compound',
11
- description: 'Core physicochemical properties for a PubChem compound by CID (mirrors pubchem_get_compound_details).',
11
+ description: 'Core physicochemical properties for a PubChem compound by CID. Use pubchem_get_compound_details to select properties or add descriptions, synonyms, drug-likeness, and classification.',
12
12
  mimeType: 'application/json',
13
13
  params: z.object({
14
14
  cid: z.coerce.number().int().positive().describe('PubChem Compound ID.'),
@@ -1 +1 @@
1
- {"version":3,"file":"compound.resource.js","sourceRoot":"","sources":["../../../../src/mcp-server/resources/definitions/compound.resource.ts"],"names":[],"mappings":"AAAA;;;GAGG;AAEH,OAAO,EAAE,QAAQ,EAAE,CAAC,EAAE,MAAM,wBAAwB,CAAC;AACrD,OAAO,EAAE,QAAQ,EAAE,MAAM,+BAA+B,CAAC;AACzD,OAAO,EAAE,gBAAgB,EAAE,MAAM,sCAAsC,CAAC;AACxE,OAAO,EAAE,kBAAkB,EAAE,MAAM,6BAA6B,CAAC;AAEjE,MAAM,CAAC,MAAM,gBAAgB,GAAG,QAAQ,CAAC,0BAA0B,EAAE;IACnE,IAAI,EAAE,kBAAkB;IACxB,WAAW,EACT,uGAAuG;IACzG,QAAQ,EAAE,kBAAkB;IAC5B,MAAM,EAAE,CAAC,CAAC,MAAM,CAAC;QACf,GAAG,EAAE,CAAC,CAAC,MAAM,CAAC,MAAM,EAAE,CAAC,GAAG,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,sBAAsB,CAAC;KACzE,CAAC;IAEF,KAAK,CAAC,OAAO,CAAC,MAAM;QAClB,MAAM,MAAM,GAAG,gBAAgB,EAAE,CAAC;QAClC,MAAM,IAAI,GAAG,MAAM,MAAM,CAAC,aAAa,CAAC,CAAC,MAAM,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,kBAAkB,CAAC,CAAC,CAAC;QAC/E,MAAM,GAAG,GAAG,IAAI,CAAC,CAAC,CAAC,CAAC;QACpB,6FAA6F;QAC7F,IAAI,CAAC,GAAG,IAAI,CAAC,MAAM,CAAC,IAAI,CAAC,GAAG,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC,KAAK,KAAK,CAAC,EAAE,CAAC;YACvD,MAAM,QAAQ,CAAC,qCAAqC,MAAM,CAAC,GAAG,GAAG,EAAE,EAAE,GAAG,EAAE,MAAM,CAAC,GAAG,EAAE,CAAC,CAAC;QAC1F,CAAC;QACD,MAAM,EAAE,GAAG,EAAE,IAAI,EAAE,GAAG,UAAU,EAAE,GAAG,GAAG,CAAC;QACzC,OAAO,EAAE,GAAG,EAAE,MAAM,CAAC,GAAG,EAAE,UAAU,EAAE,CAAC;IACzC,CAAC;CACF,CAAC,CAAC"}
1
+ {"version":3,"file":"compound.resource.js","sourceRoot":"","sources":["../../../../src/mcp-server/resources/definitions/compound.resource.ts"],"names":[],"mappings":"AAAA;;;GAGG;AAEH,OAAO,EAAE,QAAQ,EAAE,CAAC,EAAE,MAAM,wBAAwB,CAAC;AACrD,OAAO,EAAE,QAAQ,EAAE,MAAM,+BAA+B,CAAC;AACzD,OAAO,EAAE,gBAAgB,EAAE,MAAM,sCAAsC,CAAC;AACxE,OAAO,EAAE,kBAAkB,EAAE,MAAM,6BAA6B,CAAC;AAEjE,MAAM,CAAC,MAAM,gBAAgB,GAAG,QAAQ,CAAC,0BAA0B,EAAE;IACnE,IAAI,EAAE,kBAAkB;IACxB,WAAW,EACT,wLAAwL;IAC1L,QAAQ,EAAE,kBAAkB;IAC5B,MAAM,EAAE,CAAC,CAAC,MAAM,CAAC;QACf,GAAG,EAAE,CAAC,CAAC,MAAM,CAAC,MAAM,EAAE,CAAC,GAAG,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,sBAAsB,CAAC;KACzE,CAAC;IAEF,KAAK,CAAC,OAAO,CAAC,MAAM;QAClB,MAAM,MAAM,GAAG,gBAAgB,EAAE,CAAC;QAClC,MAAM,IAAI,GAAG,MAAM,MAAM,CAAC,aAAa,CAAC,CAAC,MAAM,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,kBAAkB,CAAC,CAAC,CAAC;QAC/E,MAAM,GAAG,GAAG,IAAI,CAAC,CAAC,CAAC,CAAC;QACpB,6FAA6F;QAC7F,IAAI,CAAC,GAAG,IAAI,CAAC,MAAM,CAAC,IAAI,CAAC,GAAG,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC,KAAK,KAAK,CAAC,EAAE,CAAC;YACvD,MAAM,QAAQ,CAAC,qCAAqC,MAAM,CAAC,GAAG,GAAG,EAAE,EAAE,GAAG,EAAE,MAAM,CAAC,GAAG,EAAE,CAAC,CAAC;QAC1F,CAAC;QACD,MAAM,EAAE,GAAG,EAAE,IAAI,EAAE,GAAG,UAAU,EAAE,GAAG,GAAG,CAAC;QACzC,OAAO,EAAE,GAAG,EAAE,MAAM,CAAC,GAAG,EAAE,UAAU,EAAE,CAAC;IACzC,CAAC;CACF,CAAC,CAAC"}
@@ -3,12 +3,12 @@
3
3
  * @module mcp-server/resources/definitions
4
4
  */
5
5
  export declare const allResourceDefinitions: (import("@cyanheads/mcp-ts-core").ResourceDefinition<import("zod").ZodObject<{
6
- aid: import("zod").ZodCoercedNumber<unknown>;
7
- }, import("zod/v4/core").$strip>, undefined, undefined> | import("@cyanheads/mcp-ts-core").ResourceDefinition<import("zod").ZodObject<{
8
6
  cid: import("zod").ZodCoercedNumber<unknown>;
9
7
  }, import("zod/v4/core").$strip>, undefined, undefined> | import("@cyanheads/mcp-ts-core").ResourceDefinition<import("zod").ZodObject<{
10
8
  cid: import("zod").ZodCoercedNumber<unknown>;
11
9
  }, import("zod/v4/core").$strip>, import("zod").ZodObject<{
12
10
  base64: import("zod").ZodString;
13
- }, import("zod/v4/core").$strip>, undefined>)[];
11
+ }, import("zod/v4/core").$strip>, undefined> | import("@cyanheads/mcp-ts-core").ResourceDefinition<import("zod").ZodObject<{
12
+ aid: import("zod").ZodCoercedNumber<unknown>;
13
+ }, import("zod/v4/core").$strip>, undefined, undefined>)[];
14
14
  //# sourceMappingURL=index.d.ts.map
@@ -1 +1 @@
1
- {"version":3,"file":"index.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/resources/definitions/index.ts"],"names":[],"mappings":"AAAA;;;GAGG;AASH,eAAO,MAAM,sBAAsB;;;;;;;;+CAOlC,CAAC"}
1
+ {"version":3,"file":"index.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/resources/definitions/index.ts"],"names":[],"mappings":"AAAA;;;GAGG;AASH,eAAO,MAAM,sBAAsB;;;;;;;;0DAOlC,CAAC"}
@@ -8,8 +8,8 @@ export declare const getBioactivity: import("@cyanheads/mcp-ts-core").ToolDefini
8
8
  cid: z.ZodNumber;
9
9
  outcomeFilter: z.ZodDefault<z.ZodEnum<{
10
10
  active: "active";
11
- inactive: "inactive";
12
11
  all: "all";
12
+ inactive: "inactive";
13
13
  }>>;
14
14
  targetGeneId: z.ZodOptional<z.ZodNumber>;
15
15
  targetAccession: z.ZodOptional<z.ZodString>;
@@ -7,8 +7,8 @@ import { JsonRpcErrorCode } from '@cyanheads/mcp-ts-core/errors';
7
7
  export declare const getCompound3dStructure: import("@cyanheads/mcp-ts-core").ToolDefinition<z.ZodObject<{
8
8
  cid: z.ZodNumber;
9
9
  format: z.ZodDefault<z.ZodEnum<{
10
- sdf: "sdf";
11
10
  json: "json";
11
+ sdf: "sdf";
12
12
  }>>;
13
13
  includeAlternateConformerIds: z.ZodDefault<z.ZodBoolean>;
14
14
  maxAtoms: z.ZodOptional<z.ZodNumber>;
@@ -17,7 +17,7 @@ const DEFAULT_BOND_CAP = 200;
17
17
  const DEFAULT_SDF_LINE_CAP = 500;
18
18
  export const getCompound3dStructure = tool('pubchem_get_compound_3d_structure', {
19
19
  title: 'Get Compound 3D Structure',
20
- description: 'Get a compound\'s default 3D conformer — atomic coordinates and bonds — for one CID. format="json" (default) returns parsed atoms and bonds the model can reason over directly; format="sdf" returns the raw V2000 SDF text for passthrough to docking, rendering, or conformer tools. Optionally lists alternate conformer IDs. Not every compound has computed 3D coordinates (large molecules, mixtures, and some salts do not).',
20
+ description: 'Get a compound\'s default 3D conformer — atomic coordinates and bonds — for one CID. format="json" (default) returns atoms and bonds parsed into structured fields; format="sdf" returns the raw V2000 SDF text for passthrough to docking, rendering, or conformer tools. Optionally lists alternate conformer IDs. Not every compound has computed 3D coordinates (large molecules, mixtures, and some salts do not).',
21
21
  annotations: {
22
22
  readOnlyHint: true,
23
23
  idempotentHint: true,
@@ -36,7 +36,7 @@ export const getCompound3dStructure = tool('pubchem_get_compound_3d_structure',
36
36
  includeAlternateConformerIds: z
37
37
  .boolean()
38
38
  .default(false)
39
- .describe('List the IDs of additional computed conformers beyond the default. Adds one extra API call. Default: false.'),
39
+ .describe('List the IDs of additional computed conformers beyond the default. Slower than the default response. Default: false.'),
40
40
  maxAtoms: z
41
41
  .number()
42
42
  .int()
@@ -1 +1 @@
1
- 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1
+ 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@@ -1 +1 @@
1
- {"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;AA4GjD,eAAO,MAAM,kBAAkB;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;wCA2Y7B,CAAC"}
1
+ {"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;AA4GjD,eAAO,MAAM,kBAAkB;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;wCAuZ7B,CAAC"}
@@ -96,7 +96,7 @@ function computeDrugLikeness(properties) {
96
96
  // ── Tool definition ────────────────────────────────────────────────────
97
97
  export const getCompoundDetails = tool('pubchem_get_compound_details', {
98
98
  title: 'Get Compound Details',
99
- 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.',
99
+ 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). Accepts up to 100 CIDs per call.',
100
100
  annotations: {
101
101
  readOnlyHint: true,
102
102
  idempotentHint: true,
@@ -107,7 +107,7 @@ export const getCompoundDetails = tool('pubchem_get_compound_details', {
107
107
  .array(z.number().int().positive())
108
108
  .min(1)
109
109
  .max(100)
110
- .describe('PubChem Compound IDs to fetch (1-100). Batched efficiently. Resolve from names/SMILES with pubchem_search_compounds.'),
110
+ .describe('PubChem Compound IDs to fetch (1-100). Resolve from names/SMILES with pubchem_search_compounds.'),
111
111
  properties: z
112
112
  .array(propertyEnum)
113
113
  .optional()
@@ -122,11 +122,11 @@ export const getCompoundDetails = tool('pubchem_get_compound_details', {
122
122
  .min(1)
123
123
  .max(20)
124
124
  .default(3)
125
- .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.'),
125
+ .describe('Max number of distinct description entries per compound (1-20). PubChem returns near-duplicate summaries from many depositors; duplicates are collapsed before this cap applies. Default: 3.'),
126
126
  includeSynonyms: z
127
127
  .boolean()
128
128
  .default(false)
129
- .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.'),
129
+ .describe('Fetch all known names and synonyms (trade names, systematic names, registry numbers). Slower for large CID lists.'),
130
130
  maxSynonyms: z
131
131
  .number()
132
132
  .int()
@@ -137,7 +137,7 @@ export const getCompoundDetails = tool('pubchem_get_compound_details', {
137
137
  includeDrugLikeness: z
138
138
  .boolean()
139
139
  .default(false)
140
- .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.'),
140
+ .describe('Compute drug-likeness assessment: Lipinski Rule of Five (MW, XLogP, HBD, HBA) and Veber rules (TPSA, rotatable bonds). Computed from the returned properties, so it adds no latency.'),
141
141
  includeClassification: z
142
142
  .boolean()
143
143
  .default(false)
@@ -371,11 +371,17 @@ export const getCompoundDetails = tool('pubchem_get_compound_details', {
371
371
  lines.push(` FDA: ${cls.fdaClasses.join(', ')}`);
372
372
  if (cls.fdaMechanisms.length > 0)
373
373
  lines.push(` MoA: ${cls.fdaMechanisms.join(', ')}`);
374
+ /**
375
+ * MeSH classes render in full — structuredContent carries the whole list uncapped.
376
+ * Each value is a multi-sentence scope note that routinely contains both "; " and
377
+ * ", ", so no inline separator can mark an entry boundary unambiguously. One entry
378
+ * per line instead: inlineData collapses embedded newlines, so a value cannot forge
379
+ * a bullet of its own and the line break is an unforgeable entry boundary.
380
+ */
374
381
  if (cls.meshClasses.length > 0) {
375
- const meshDisplay = cls.meshClasses.length > 3
376
- ? `${cls.meshClasses.slice(0, 3).join('; ')} (+${cls.meshClasses.length - 3} more)`
377
- : cls.meshClasses.join('; ');
378
- lines.push(` MeSH: ${meshDisplay}`);
382
+ lines.push(' MeSH:');
383
+ for (const meshClass of cls.meshClasses)
384
+ lines.push(` - ${inlineData(meshClass)}`);
379
385
  }
380
386
  if (cls.atcCodes.length > 0) {
381
387
  const atcDisplay = cls.atcCodes
@@ -412,7 +418,15 @@ export const getCompoundDetails = tool('pubchem_get_compound_details', {
412
418
  const total = c.synonymsTotal ?? c.synonyms.length;
413
419
  const more = total - c.synonyms.length;
414
420
  const suffix = more > 0 ? ` (+${more} more)` : '';
415
- const syns = c.synonyms.map(inlineData).join(', ');
421
+ /**
422
+ * Pipe-separated: CAS-style inverted names ("Benzoic acid, 2-(acetyloxy)-") carry
423
+ * their own ", ", which would split one synonym into two. " | " is this formatter's
424
+ * existing inline multi-value separator. A bare "|" does turn up in depositor
425
+ * synonyms as mangled Greek letters ("17|A-Oestradiol"), so the delimiter is the
426
+ * space-padded form; that exact sequence was absent from every synonym sampled,
427
+ * but unlike the MeSH line break it is a rare-collision separator, not a proof.
428
+ */
429
+ const syns = c.synonyms.map(inlineData).join(' | ');
416
430
  blocks.push(`\n**Synonyms** (${total} total): ${syns}${suffix}`);
417
431
  }
418
432
  blocks.push('');
@@ -1 +1 @@
1
- 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@@ -7,8 +7,8 @@ import { JsonRpcErrorCode } from '@cyanheads/mcp-ts-core/errors';
7
7
  export declare const getCompoundImage: import("@cyanheads/mcp-ts-core").ToolDefinition<z.ZodObject<{
8
8
  cid: z.ZodNumber;
9
9
  size: z.ZodDefault<z.ZodEnum<{
10
- small: "small";
11
10
  large: "large";
11
+ small: "small";
12
12
  }>>;
13
13
  }, z.core.$strip>, z.ZodObject<{
14
14
  cid: z.ZodNumber;
@@ -21,7 +21,6 @@ export declare const getCompoundInteractions: import("@cyanheads/mcp-ts-core").T
21
21
  }>;
22
22
  partner: z.ZodOptional<z.ZodString>;
23
23
  source: z.ZodString;
24
- severity: z.ZodOptional<z.ZodString>;
25
24
  text: z.ZodString;
26
25
  }, z.core.$strip>>;
27
26
  }, z.core.$strip>, undefined, {
@@ -1 +1 @@
1
- {"version":3,"file":"get-compound-interactions.tool.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/get-compound-interactions.tool.ts"],"names":[],"mappings":"AAAA;;;GAGG;AAEH,OAAO,EAAQ,CAAC,EAAE,MAAM,wBAAwB,CAAC;AAIjD,eAAO,MAAM,uBAAuB;;;;;;;;;;;;;;;;;;;;;;;;;;EAsIlC,CAAC"}
1
+ {"version":3,"file":"get-compound-interactions.tool.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/get-compound-interactions.tool.ts"],"names":[],"mappings":"AAAA;;;GAGG;AAEH,OAAO,EAAQ,CAAC,EAAE,MAAM,wBAAwB,CAAC;AAIjD,eAAO,MAAM,uBAAuB;;;;;;;;;;;;;;;;;;;;;;;;;EA+HlC,CAAC"}
@@ -43,10 +43,6 @@ export const getCompoundInteractions = tool('pubchem_get_compound_interactions',
43
43
  .optional()
44
44
  .describe('Interacting compound, food, or target name as the source reports it.'),
45
45
  source: z.string().describe('Originating source (e.g. "DrugBank", "BindingDB").'),
46
- severity: z
47
- .string()
48
- .optional()
49
- .describe('Raw severity as the source reports it — not normalized across sources, and frequently unset (most sources embed severity in the statement text).'),
50
46
  text: z.string().describe('The interaction statement.'),
51
47
  })
52
48
  .describe('A single interaction entry.'))
@@ -102,8 +98,7 @@ export const getCompoundInteractions = tool('pubchem_get_compound_interactions',
102
98
  }
103
99
  for (const e of result.entries) {
104
100
  const partner = e.partner ? ` **${inlineData(e.partner)}**` : '';
105
- const severity = e.severity ? ` [severity: ${inlineData(e.severity)}]` : '';
106
- lines.push(`- (${e.kind})${partner}${severity} _(source: ${inlineData(e.source)})_`);
101
+ lines.push(`- (${e.kind})${partner} _(source: ${inlineData(e.source)})_`);
107
102
  // The interaction statement is upstream free text — render it as an
108
103
  // indented blockquote so the data/instruction boundary is explicit.
109
104
  for (const q of quoteData(e.text).split('\n'))
@@ -1 +1 @@
1
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