@cyanheads/pubchem-mcp-server 0.4.0 → 0.4.2
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/Dockerfile +11 -7
- package/LICENSE +1 -1
- package/README.md +1 -1
- package/dist/mcp-server/resources/definitions/compound-safety.resource.d.ts.map +1 -1
- package/dist/mcp-server/resources/definitions/compound-safety.resource.js +12 -8
- package/dist/mcp-server/resources/definitions/compound-safety.resource.js.map +1 -1
- package/dist/mcp-server/resources/definitions/index.d.ts +3 -3
- package/dist/mcp-server/resources/definitions/index.d.ts.map +1 -1
- package/dist/mcp-server/tools/definitions/get-bioactivity.tool.d.ts +1 -1
- package/dist/mcp-server/tools/definitions/get-compound-3d-structure.tool.d.ts +1 -1
- package/dist/mcp-server/tools/definitions/get-compound-image.tool.d.ts +1 -1
- package/dist/mcp-server/tools/definitions/get-compound-interactions.tool.d.ts +0 -1
- package/dist/mcp-server/tools/definitions/get-compound-interactions.tool.d.ts.map +1 -1
- package/dist/mcp-server/tools/definitions/get-compound-interactions.tool.js +1 -6
- package/dist/mcp-server/tools/definitions/get-compound-interactions.tool.js.map +1 -1
- package/dist/mcp-server/tools/definitions/get-compound-safety.tool.d.ts +6 -0
- 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 +51 -22
- package/dist/mcp-server/tools/definitions/get-compound-safety.tool.js.map +1 -1
- package/dist/mcp-server/tools/definitions/index.d.ts +200 -195
- package/dist/mcp-server/tools/definitions/index.d.ts.map +1 -1
- package/dist/mcp-server/tools/definitions/search-assays.tool.d.ts +2 -2
- package/dist/mcp-server/tools/definitions/search-compounds.tool.d.ts +6 -6
- package/dist/mcp-server/tools/definitions/search-compounds.tool.js.map +1 -1
- package/dist/services/pubchem/pubchem-client.d.ts +8 -2
- package/dist/services/pubchem/pubchem-client.d.ts.map +1 -1
- package/dist/services/pubchem/pubchem-client.js +215 -21
- package/dist/services/pubchem/pubchem-client.js.map +1 -1
- package/dist/services/pubchem/types.d.ts +24 -6
- package/dist/services/pubchem/types.d.ts.map +1 -1
- package/dist/services/pubchem/types.js.map +1 -1
- package/manifest.json +1 -1
- package/package.json +11 -10
- package/server.json +3 -3
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@@ -6,6 +6,23 @@
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import { JsonRpcErrorCode, McpError, notFound } from '@cyanheads/mcp-ts-core/errors';
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import { httpErrorFromResponse } from '@cyanheads/mcp-ts-core/utils';
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const isNotFound = (error) => error instanceof McpError && error.code === JsonRpcErrorCode.NotFound;
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/** Distinguishes the two outcomes PUG View hides behind a single HTTP 404.
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*
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* `heading=`-filtered PUG View requests answer both "this CID has no record" and "this CID's
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* record has no data under that heading" with 404 `PUGVIEW.NotFound`. The only discriminator
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* is the fault message: "No record found" for a nonexistent CID, "No data found" for a real
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* compound the heading doesn't cover. `fetchResponse` parses that message onto `data.fault`,
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* so no extra request is needed to tell them apart.
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*
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* Defaults to false when the message is missing or unrecognized: claiming a compound has no
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* data understates what is known, while wrongly claiming a CID does not exist sends the caller
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* chasing a correct identifier. */
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const isMissingRecord = (error) => {
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if (!isNotFound(error))
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return false;
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const { fault } = (error.data ?? {});
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return typeof fault === 'string' && fault.includes('No record found');
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};
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// ── Rate Limiter ─────────────────────────────────────────────────────
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/** Sliding-window rate limiter. Queues requests exceeding maxPerSecond. */
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class RateLimiter {
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@@ -159,28 +176,194 @@ function extractGHSInfo(section) {
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}
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return infos;
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}
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/** Parse "H225: Highly flammable..." into { code, statement }
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/** Parse "H225: Highly flammable..." into { code, statement }.
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*
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* Two upstream annotations sit between the code and the separator, and neither may fail the
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* parse: the depositor-agreement percentage ("H319 (100%): Causes serious eye irritation
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* [Warning …]") and the asterisk marker some depositors append ("H370 **: Causes damage to
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* organs"). Requiring the separator to follow the code immediately discarded every annotated
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* statement, which on records that deposit only the annotated form left the compound with no
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* hazard statements at all.
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*
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* The code itself may carry a subcategory suffix — H350i (by inhalation), H360D/H360FD,
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* H361f/H361fd — naming a narrower classification than its base code, and on some records it
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* is the only form deposited. Allowing up to two trailing letters keeps those as their own
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* entries instead of dropping the statement; a suffixed code is deliberately distinct from
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* its base, so both survive the later dedup-by-code. */
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function parseCodedStatement(text) {
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const match = text.match(/^([HP]\d{3}(?:\+[HP]\d{3})*)\s*[:\-–]\s*(.+)/);
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const match = text.match(/^([HP]\d{3}[A-Za-z]{0,2}(?:\+[HP]\d{3}[A-Za-z]{0,2})*)\s*(?:(?:\([^)]*\)|\*+)\s*)*[:\-–]\s*(.+)/);
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if (match?.[1] && match[2])
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return { code: match[1], statement: match[2].trim() };
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const codeOnly = text.match(/^([HP]\d{3}(?:\+[HP]\d{3})*)$/);
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const codeOnly = text.match(/^([HP]\d{3}[A-Za-z]{0,2}(?:\+[HP]\d{3}[A-Za-z]{0,2})*)$/);
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if (codeOnly?.[1])
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return { code: codeOnly[1], statement: '' };
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return;
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}
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/**
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*
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*
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/** Standard GHS precautionary statement text, keyed by P-code exactly as
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* `parsePrecautionaryCodes` emits it — individual codes ("P261") and combined codes
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* ("P305+P351+P338") alike. Decoding a standardized code to its official text is a lookup,
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* not fabrication — the same static-table decode already applied to pictogram codes.
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* Primary reference: UN GHS Rev. 10 Annex 3 (2023) — the revision PubChem's GHS depositors
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* follow — transcribed verbatim (British-English "vapours", consistent with the H-code text).
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* Combined-code text is assembled from its component single statements, exactly as Annex 3
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* §A3.2.5.2 prescribes. Codes carrying a free-fill "…" the label author must supply (P501
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* disposal method, P411 temperature, P320/P321 first-aid reference) and codes deleted in
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* Rev. 10 (P201, P202, and the P310–P315 family superseded by P316–P319) are omitted — they
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* fall back to "" and are reported as `decoded: false`. The one placeholder resolved rather
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* than omitted is P264, rendered with its near-universal "hands" body-part fill ("Wash hands
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* thoroughly after handling.") in place of the bare "Wash [and …] …" template — a decode a
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* reader can act on.
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*
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* Codes are added only against Rev. 10 itself. PubChem's own P-code reference
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* (pubchem.ncbi.nlm.nih.gov/ghs) is NOT a usable source despite being the upstream: it is
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* transcribed from an older revision and disagrees with Rev. 10 across this very block —
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* P210 "hot surface", P234 "original container", P240 "Ground/bond …", P242 "Use only
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* non-sparking tools", P243 "…against static discharge" are all pre-Rev.-10 forms.
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*
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* Placeholders get one of three treatments, so read the existing entries before adding a code.
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* Resolved: P264 alone, filled to its near-universal "hands" body-part. Verbatim: P280 and P352
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* keep the standard's own slash-list ("gloves/…/hearing protection/…") and decode true, because
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* the enumeration is itself the guidance. Omitted: codes whose blank only the label author can
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* fill (P501 disposal method, P411 temperature, P320/P321 first-aid reference).
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*
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* P241 is absent for a source reason, not a placeholder one — on shape alone it belongs with
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* the verbatim group. Its Rev. 10 text has not been read from a Rev. 10 source: UNECE serves
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* Annex 3 only as blocked PDFs, and every reachable transcription is older — the same lag that
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* disqualifies PubChem's page above, which disagrees with Rev. 10 on P210/P234/P240/P242/P243
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* in this very block. Adding it from a pre-Rev.-10 transcription would ship safety text this
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* table claims is Rev. 10 and is not. Add it verbatim, alongside P280, once Rev. 10 Annex 3
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* itself is in hand. */
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const PRECAUTIONARY_STATEMENTS = {
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// General (P1xx)
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P101: 'If medical advice is needed, have product container or label at hand.',
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P102: 'Keep out of reach of children.',
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P103: 'Read carefully and follow all instructions.',
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// Prevention (P2xx) — P201/P202 deleted in Rev. 10 (see docstring), omitted → "".
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P203: 'Obtain, read and follow all safety instructions before use.',
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P210: 'Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.',
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P211: 'Do not spray on an open flame or other ignition source.',
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P220: 'Keep away from clothing and other combustible materials.',
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P222: 'Do not allow contact with air.',
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P223: 'Do not allow contact with water.',
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P232: 'Protect from moisture.',
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P233: 'Keep container tightly closed.',
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P234: 'Keep only in original packaging.',
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P235: 'Keep cool.',
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P240: 'Ground and bond container and receiving equipment.',
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P242: 'Use non-sparking tools.',
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P243: 'Take action to prevent static discharges.',
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P244: 'Keep valves and fittings free from oil and grease.',
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P251: 'Do not pierce or burn, even after use.',
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P260: 'Do not breathe dust/fume/gas/mist/vapours/spray.',
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P261: 'Avoid breathing dust/fume/gas/mist/vapours/spray.',
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P262: 'Do not get in eyes, on skin, or on clothing.',
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P263: 'Avoid contact during pregnancy and while nursing.',
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P264: 'Wash hands thoroughly after handling.',
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'P264+P265': 'Wash hands thoroughly after handling. Do not touch eyes.',
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P265: 'Do not touch eyes.',
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P270: 'Do not eat, drink or smoke when using this product.',
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P271: 'Use only outdoors or with adequate ventilation.',
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P272: 'Contaminated work clothing should not be allowed out of the workplace.',
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P273: 'Avoid release to the environment.',
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P280: 'Wear protective gloves/protective clothing/eye protection/face protection/hearing protection/…',
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P282: 'Wear cold insulating gloves and either face shield or eye protection.',
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P283: 'Wear fire resistant or flame-retardant clothing.',
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P284: 'In case of inadequate ventilation wear respiratory protection.',
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// Response (P3xx)
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P301: 'IF SWALLOWED:',
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'P301+P316': 'IF SWALLOWED: Get emergency medical help immediately.',
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'P301+P317': 'IF SWALLOWED: Get medical help.',
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'P301+P330+P331': 'IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.',
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P302: 'IF ON SKIN:',
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'P302+P334': 'IF ON SKIN: Immerse in cool water [or wrap in wet bandages].',
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'P302+P352': 'IF ON SKIN: Wash with plenty of water/…',
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P303: 'IF ON SKIN (or hair):',
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'P303+P361+P353': 'IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse affected areas with water [or shower].',
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P304: 'IF INHALED:',
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'P304+P340': 'IF INHALED: Remove person to fresh air and keep comfortable for breathing.',
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P305: 'IF IN EYES:',
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'P305+P351+P338': 'IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.',
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'P305+P354+P338': 'IF IN EYES: Immediately rinse with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.',
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P306: 'IF ON CLOTHING:',
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P308: 'IF exposed or concerned:',
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'P308+P316': 'IF exposed or concerned: Get emergency medical help immediately.',
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P316: 'Get emergency medical help immediately.',
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P317: 'Get medical help.',
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P318: 'IF exposed or concerned, get medical advice.',
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P319: 'Get medical help if you feel unwell.',
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// P320/P321 omitted — free-fill "(see … on this label)" first-aid reference, → "".
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P330: 'Rinse mouth.',
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P331: 'Do NOT induce vomiting.',
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P332: 'If skin irritation occurs:',
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'P332+P317': 'If skin irritation occurs: Get medical help.',
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P333: 'If skin irritation or rash occurs:',
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'P333+P317': 'If skin irritation or rash occurs: Get medical help.',
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P334: 'Immerse in cool water [or wrap in wet bandages].',
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P335: 'Brush off loose particles from skin.',
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P337: 'If eye irritation persists:',
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'P337+P317': 'If eye irritation persists: Get medical help.',
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P338: 'Remove contact lenses, if present and easy to do. Continue rinsing.',
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P340: 'Remove person to fresh air and keep comfortable for breathing.',
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P342: 'If experiencing respiratory symptoms:',
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'P342+P316': 'If experiencing respiratory symptoms: Get emergency medical help immediately.',
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P351: 'Rinse cautiously with water for several minutes.',
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P352: 'Wash with plenty of water/…',
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P353: 'Rinse affected areas with water [or shower].',
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P354: 'Immediately rinse with water for several minutes.',
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P360: 'Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.',
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P361: 'Take off immediately all contaminated clothing.',
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'P361+P364': 'Take off immediately all contaminated clothing and wash it before reuse.',
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P362: 'Take off contaminated clothing.',
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'P362+P364': 'Take off contaminated clothing and wash it before reuse.',
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P363: 'Wash contaminated clothing before reuse.',
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P364: 'And wash it before reuse.',
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P370: 'In case of fire:',
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P372: 'Explosion risk.',
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P373: 'DO NOT fight fire when fire reaches explosives.',
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P375: 'Fight fire remotely due to the risk of explosion.',
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P376: 'Stop leak if safe to do so.',
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P377: 'Leaking gas fire: Do not extinguish, unless leak can be stopped safely.',
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P380: 'Evacuate area.',
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P381: 'In case of leakage, eliminate all ignition sources.',
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P390: 'Absorb spillage to prevent material damage.',
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P391: 'Collect spillage.',
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// Storage (P4xx)
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P402: 'Store in a dry place.',
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'P402+P404': 'Store in a dry place. Store in a closed container.',
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P403: 'Store in a well-ventilated place.',
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'P403+P233': 'Store in a well-ventilated place. Keep container tightly closed.',
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'P403+P235': 'Store in a well-ventilated place. Keep cool.',
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P404: 'Store in a closed container.',
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P405: 'Store locked up.',
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P407: 'Maintain air gap between stacks or pallets.',
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P410: 'Protect from sunlight.',
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'P410+P403': 'Protect from sunlight. Store in a well-ventilated place.',
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P420: 'Store separately.',
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// Disposal (P5xx)
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P502: 'Refer to manufacturer or supplier for information on recovery or recycling.',
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};
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/** Matches one P-code — individual ("P261") or combined ("P305+P351+P338"). Greedy on the
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* `+` groups so a combined code is captured whole rather than as its first component. */
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const P_CODE_PATTERN = /\bP\d{3}(?:\+P\d{3})*\b/g;
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/** Parse PubChem's precautionary code list — e.g. "P261, P264+P265, P405, and P501 (click each
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* P-code to see the statement)" — into precautionary statement entries.
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*
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* The list is scanned for P-code shapes rather than split on the delimiter and matched against
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* an anchored pattern. PubChem appends explanatory prose to the list, and an anchored per-token
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* test rejects whichever token the prose is glued to — in practice the final code, silently
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* dropping it from every record (most often P501, the disposal statement). Scanning makes the
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* parse independent of both the delimiter and the wording of the prose, so a change to either
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* costs no data. It also subsumes the terminal Oxford "and" without special-casing it.
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*
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* PubChem deposits precautionary statements as bare codes (no text), so each code is decoded to
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* its standard UN GHS statement via PRECAUTIONARY_STATEMENTS. A code absent from the table
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* (free-fill placeholder or Rev. 10-deleted code) yields `statement: ''` with `decoded: false`,
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361
|
+
* so a consumer can tell an undecoded code from a genuinely empty statement. */
|
|
178
362
|
function parsePrecautionaryCodes(text) {
|
|
179
363
|
const entries = [];
|
|
180
|
-
for (const
|
|
181
|
-
const
|
|
182
|
-
|
|
183
|
-
entries.push({ code, statement: '' });
|
|
364
|
+
for (const [code] of text.matchAll(P_CODE_PATTERN)) {
|
|
365
|
+
const statement = PRECAUTIONARY_STATEMENTS[code];
|
|
366
|
+
entries.push({ code, statement: statement ?? '', decoded: statement !== undefined });
|
|
184
367
|
}
|
|
185
368
|
return entries;
|
|
186
369
|
}
|
|
@@ -430,15 +613,21 @@ export class PubChemClient {
|
|
|
430
613
|
throw error;
|
|
431
614
|
}
|
|
432
615
|
}
|
|
616
|
+
/** Fetch a compound's GHS classification.
|
|
617
|
+
*
|
|
618
|
+
* Reports "this CID has no PubChem record" separately from "this compound has no deposited
|
|
619
|
+
* GHS classification" — a nonexistent CID and a real compound without safety data are
|
|
620
|
+
* different answers that call for different follow-up, and both used to surface as an
|
|
621
|
+
* absent result. */
|
|
433
622
|
async getSafetyData(cid) {
|
|
434
623
|
try {
|
|
435
624
|
const data = await this.fetchJson(`${this.viewBase}/data/compound/${cid}/JSON?heading=Safety+and+Hazards`);
|
|
436
625
|
const sections = data.Record.Section;
|
|
437
626
|
if (!sections)
|
|
438
|
-
return
|
|
627
|
+
return { status: 'no_ghs_data' };
|
|
439
628
|
const ghsSection = findSection(sections, 'GHS Classification');
|
|
440
629
|
if (!ghsSection)
|
|
441
|
-
return
|
|
630
|
+
return { status: 'no_ghs_data' };
|
|
442
631
|
const infos = extractGHSInfo(ghsSection);
|
|
443
632
|
const result = {
|
|
444
633
|
pictograms: [],
|
|
@@ -481,12 +670,14 @@ export class PubChemClient {
|
|
|
481
670
|
result.source = refs[0].SourceName;
|
|
482
671
|
}
|
|
483
672
|
return result.signalWord || result.pictograms.length > 0 || result.hazardStatements.length > 0
|
|
484
|
-
? result
|
|
485
|
-
:
|
|
673
|
+
? { status: 'ok', ghs: result }
|
|
674
|
+
: { status: 'no_ghs_data' };
|
|
486
675
|
}
|
|
487
676
|
catch (error) {
|
|
677
|
+
if (isMissingRecord(error))
|
|
678
|
+
return { status: 'cid_not_found' };
|
|
488
679
|
if (isNotFound(error))
|
|
489
|
-
return
|
|
680
|
+
return { status: 'no_ghs_data' };
|
|
490
681
|
throw error;
|
|
491
682
|
}
|
|
492
683
|
}
|
|
@@ -756,9 +947,12 @@ export class PubChemClient {
|
|
|
756
947
|
const acname = typeof row.acname === 'string' ? row.acname : '';
|
|
757
948
|
const qualifier = typeof row.acqualifier === 'string' ? row.acqualifier : '';
|
|
758
949
|
const acvalue = row.acvalue == null ? '' : String(row.acvalue).trim();
|
|
759
|
-
//
|
|
760
|
-
//
|
|
761
|
-
|
|
950
|
+
// The bioactivity collection exposes no unit column, but its acvalue is PubChem's
|
|
951
|
+
// normalized micromolar figure: depositors must submit AC-summary metrics (IC50/EC50/
|
|
952
|
+
// AC50/Ki/Potency) in µM, and these values cross-validate exactly against the
|
|
953
|
+
// assaysummary endpoint's "Activity Value [uM]" column. We assert that documented µM
|
|
954
|
+
// convention here — it is not a per-row unit fetched from SDQ (none exists to fetch).
|
|
955
|
+
const activity = acname && acvalue ? `${acname} ${qualifier} ${acvalue} uM`.replace(/\s+/g, ' ').trim() : '';
|
|
762
956
|
entries.push({
|
|
763
957
|
kind: 'target',
|
|
764
958
|
source: typeof row.aidsrcname === 'string' && row.aidsrcname ? row.aidsrcname : 'PubChem',
|
|
@@ -1 +1 @@
|
|
|
1
|
-
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1
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@@ -111,11 +111,32 @@ export interface GHSClassification {
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111
111
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pictograms: string[];
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112
112
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precautionaryStatements: Array<{
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113
113
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code: string;
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114
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+
/** Standard statement text, or "" when `decoded` is false. */
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114
115
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statement: string;
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116
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+
/** Whether `statement` carries the standard text for this code. False when the code is
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117
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+
* absent from the static table — PubChem deposits precautionary statements as bare codes,
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118
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+
* so an undecoded code is a decoder-coverage gap or a free-fill placeholder, never a
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119
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+
* statement the depositor left blank. */
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+
decoded: boolean;
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115
121
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}>;
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signalWord?: string;
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117
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source?: string;
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118
124
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}
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125
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+
/** Outcome of a GHS safety lookup for one CID.
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126
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+
*
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127
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+
* PUG View answers "no such compound" and "this compound has no Safety and Hazards data" with
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128
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+
* the same HTTP 404, discriminated only by the fault message ("No record found" vs "No data
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129
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+
* found"). The two need opposite recovery advice — verify the identifier, versus accept that
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130
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+
* the compound carries no deposited classification — so they are kept apart here rather than
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131
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+
* collapsed into one absent value. */
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132
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+
export type SafetyLookup = {
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133
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+
status: 'ok';
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134
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+
ghs: GHSClassification;
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135
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+
} | {
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136
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+
status: 'no_ghs_data';
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137
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+
} | {
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|
138
|
+
status: 'cid_not_found';
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|
139
|
+
};
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119
140
|
/** Parsed bioactivity row from assay summary table */
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|
120
141
|
export interface BioactivityRow {
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|
121
142
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activityValues: Array<{
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@@ -136,9 +157,6 @@ export interface InteractionEntry {
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136
157
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/** Interacting compound, food, or target name as the source reports it. Absent for food
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137
158
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* interactions and any entry where the source carries no distinct partner. */
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138
159
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partner?: string;
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|
139
|
-
/** Raw severity as the source reports it. Not normalized across sources, and frequently
|
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140
|
-
* unset — most sources embed severity in the statement text rather than a discrete field. */
|
|
141
|
-
severity?: string;
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|
142
160
|
/** Originating source (e.g. "DrugBank", "BindingDB"). */
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|
143
161
|
source: string;
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|
144
162
|
/** The interaction statement. */
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@@ -213,9 +231,9 @@ export interface DrugLikenessAssessment {
|
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|
213
231
|
};
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|
214
232
|
}
|
|
215
233
|
/** All valid PubChem compound property names */
|
|
216
|
-
export declare const COMPOUND_PROPERTIES: readonly [
|
|
234
|
+
export declare const COMPOUND_PROPERTIES: readonly ['MolecularFormula', 'MolecularWeight', 'CanonicalSMILES', 'IsomericSMILES', 'InChI', 'InChIKey', 'IUPACName', 'Title', 'XLogP', 'ExactMass', 'MonoisotopicMass', 'TPSA', 'Complexity', 'Charge', 'HBondDonorCount', 'HBondAcceptorCount', 'RotatableBondCount', 'HeavyAtomCount', 'IsotopeAtomCount', 'AtomStereoCount', 'DefinedAtomStereoCount', 'UndefinedAtomStereoCount', 'BondStereoCount', 'DefinedBondStereoCount', 'UndefinedBondStereoCount', 'CovalentUnitCount', 'Volume3D'];
|
|
217
235
|
/** Default properties when none specified */
|
|
218
|
-
export declare const DEFAULT_PROPERTIES: readonly [
|
|
236
|
+
export declare const DEFAULT_PROPERTIES: readonly ['MolecularFormula', 'MolecularWeight', 'IUPACName', 'CanonicalSMILES', 'IsomericSMILES', 'InChIKey', 'XLogP', 'TPSA', 'HBondDonorCount', 'HBondAcceptorCount', 'RotatableBondCount', 'HeavyAtomCount', 'Charge', 'Complexity'];
|
|
219
237
|
/** Supported cross-reference types */
|
|
220
|
-
export declare const XREF_TYPES: readonly [
|
|
238
|
+
export declare const XREF_TYPES: readonly ['RegistryID', 'RN', 'PubMedID', 'PatentID', 'GeneID', 'ProteinGI', 'TaxonomyID'];
|
|
221
239
|
//# sourceMappingURL=types.d.ts.map
|
|
@@ -1 +1 @@
|
|
|
1
|
-
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|
|
1
|
+
{"version":3,"file":"types.d.ts","sourceRoot":"","sources":["../../../src/services/pubchem/types.ts"],"names":[],"mappings":"AAAA;;;GAGG;AAIH,0DAA0D;AAC1D,MAAM,WAAW,eAAe;IAC9B,cAAc,EAAE;QAAE,GAAG,EAAE,MAAM,EAAE,CAAA;KAAE,CAAC;CACnC;AAED,sFAAsF;AACtF,MAAM,WAAW,eAAe;IAC9B,OAAO,EAAE;QAAE,OAAO,EAAE,MAAM,CAAA;KAAE,CAAC;CAC9B;AAED,0CAA0C;AAC1C,MAAM,WAAW,eAAe;IAC9B,cAAc,EAAE;QAAE,GAAG,EAAE,MAAM,EAAE,CAAA;KAAE,CAAC;CACnC;AAED,8BAA8B;AAC9B,MAAM,WAAW,qBAAqB;IACpC,aAAa,EAAE;QACb,UAAU,EAAE,KAAK,CAAC,MAAM,CAAC,MAAM,EAAE,OAAO,CAAC,GAAG;YAAE,GAAG,EAAE,MAAM,CAAA;SAAE,CAAC,CAAC;KAC9D,CAAC;CACH;AAED,kCAAkC;AAClC,MAAM,WAAW,eAAe;IAC9B,eAAe,EAAE;QACf,WAAW,EAAE,KAAK,CAAC;YAAE,GAAG,EAAE,MAAM,CAAC;YAAC,OAAO,EAAE,MAAM,EAAE,CAAA;SAAE,CAAC,CAAC;KACxD,CAAC;CACH;AAED,0CAA0C;AAC1C,MAAM,WAAW,YAAY;IAC3B,eAAe,EAAE;QACf,WAAW,EAAE,KAAK,CAAC,MAAM,CAAC,MAAM,EAAE,OAAO,CAAC,GAAG;YAAE,GAAG,EAAE,MAAM,CAAA;SAAE,CAAC,CAAC;KAC/D,CAAC;CACH;AAED,+CAA+C;AAC/C,MAAM,WAAW,yBAAyB;IACxC,KAAK,EAAE;QACL,OAAO,EAAE;YAAE,MAAM,EAAE,MAAM,EAAE,CAAA;SAAE,CAAC;QAC9B,GAAG,EAAE,KAAK,CAAC;YAAE,IAAI,EAAE,CAAC,MAAM,GAAG,MAAM,GAAG,IAAI,CAAC,EAAE,CAAA;SAAE,CAAC,CAAC;KAClD,CAAC;CACH;AAED,uCAAuC;AACvC,MAAM,WAAW,qBAAqB;IACpC,eAAe,EAAE;QACf,WAAW,EAAE,KAAK,CAAC;YAAE,GAAG,EAAE,MAAM,CAAC;YAAC,WAAW,EAAE,MAAM,EAAE,CAAA;SAAE,CAAC,CAAC;KAC5D,CAAC;CACH;AAID,MAAM,WAAW,eAAe;IAC9B,MAAM,EAAE;QACN,UAAU,EAAE,MAAM,CAAC;QACnB,YAAY,EAAE,MAAM,CAAC;QACrB,OAAO,CAAC,EAAE,cAAc,EAAE,CAAC;QAC3B,SAAS,CAAC,EAAE,KAAK,CAAC;YAAE,eAAe,EAAE,MAAM,CAAC;YAAC,UAAU,EAAE,MAAM,CAAC;YAAC,QAAQ,CAAC,EAAE,MAAM,CAAA;SAAE,CAAC,CAAC;KACvF,CAAC;CACH;AAED,MAAM,WAAW,cAAc;IAC7B,WAAW,CAAC,EAAE,MAAM,CAAC;IACrB,WAAW,CAAC,EAAE,kBAAkB,EAAE,CAAC;IACnC,OAAO,CAAC,EAAE,cAAc,EAAE,CAAC;IAC3B,UAAU,EAAE,MAAM,CAAC;CACpB;AAED,MAAM,WAAW,kBAAkB;IACjC,WAAW,CAAC,EAAE,MAAM,CAAC;IACrB,IAAI,CAAC,EAAE,MAAM,CAAC;IACd,eAAe,CAAC,EAAE,MAAM,CAAC;IACzB,KAAK,EAAE;QACL,gBAAgB,CAAC,EAAE,KAAK,CAAC;YACvB,MAAM,EAAE,MAAM,CAAC;YACf,MAAM,CAAC,EAAE,KAAK,CAAC;gBACb,KAAK,EAAE,MAAM,CAAC;gBACd,MAAM,EAAE,MAAM,CAAC;gBACf,GAAG,CAAC,EAAE,MAAM,CAAC;gBACb,IAAI,CAAC,EAAE,MAAM,CAAC;gBACd,KAAK,CAAC,EAAE,MAAM,CAAC;aAChB,CAAC,CAAC;SACJ,CAAC,CAAC;QACH,MAAM,CAAC,EAAE,MAAM,EAAE,CAAC;QAClB,OAAO,CAAC,EAAE,OAAO,EAAE,CAAC;KACrB,CAAC;CACH;AAID,uCAAuC;AACvC,MAAM,WAAW,iBAAiB;IAChC,gBAAgB,EAAE,KAAK,CAAC;QAAE,IAAI,EAAE,MAAM,CAAC;QAAC,SAAS,EAAE,MAAM,CAAA;KAAE,CAAC,CAAC;IAC7D,UAAU,EAAE,MAAM,EAAE,CAAC;IACrB,uBAAuB,EAAE,KAAK,CAAC;QAC7B,IAAI,EAAE,MAAM,CAAC;QACb,8DAA8D;QAC9D,SAAS,EAAE,MAAM,CAAC;QAClB;;;iDAGyC;QACzC,OAAO,EAAE,OAAO,CAAC;KAClB,CAAC,CAAC;IACH,UAAU,CAAC,EAAE,MAAM,CAAC;IACpB,MAAM,CAAC,EAAE,MAAM,CAAC;CACjB;AAED;;;;;;sCAMsC;AACtC,MAAM,MAAM,YAAY,GACpB;IAAE,MAAM,EAAE,IAAI,CAAC;IAAC,GAAG,EAAE,iBAAiB,CAAA;CAAE,GACxC;IAAE,MAAM,EAAE,aAAa,CAAA;CAAE,GACzB;IAAE,MAAM,EAAE,eAAe,CAAA;CAAE,CAAC;AAEhC,sDAAsD;AACtD,MAAM,WAAW,cAAc;IAC7B,cAAc,EAAE,KAAK,CAAC;QAAE,IAAI,CAAC,EAAE,MAAM,CAAC;QAAC,KAAK,EAAE,MAAM,CAAC;QAAC,IAAI,CAAC,EAAE,MAAM,CAAA;KAAE,CAAC,CAAC;IACvE,GAAG,EAAE,MAAM,CAAC;IACZ,SAAS,EAAE,MAAM,CAAC;IAClB,OAAO,EAAE,MAAM,CAAC;IAChB,eAAe,CAAC,EAAE,MAAM,CAAC;IACzB,YAAY,CAAC,EAAE,MAAM,CAAC;CACvB;AAED,sFAAsF;AACtF,MAAM,WAAW,gBAAgB;IAC/B,4BAA4B;IAC5B,IAAI,EAAE,WAAW,GAAG,WAAW,GAAG,QAAQ,CAAC;IAC3C;kFAC8E;IAC9E,OAAO,CAAC,EAAE,MAAM,CAAC;IACjB,yDAAyD;IACzD,MAAM,EAAE,MAAM,CAAC;IACf,iCAAiC;IACjC,IAAI,EAAE,MAAM,CAAC;CACd;AAED;2FAC2F;AAC3F,MAAM,WAAW,kBAAkB;IACjC,uEAAuE;IACvE,OAAO,EAAE,gBAAgB,EAAE,CAAC;IAC5B,0FAA0F;IAC1F,WAAW,EAAE,KAAK,CAAC;QAAE,IAAI,EAAE,MAAM,CAAC;QAAC,OAAO,EAAE,MAAM,CAAA;KAAE,CAAC,CAAC;CACvD;AAED,0EAA0E;AAC1E,MAAM,WAAW,SAAS;IACxB,OAAO,EAAE,MAAM,CAAC;IAChB,CAAC,EAAE,MAAM,CAAC;IACV,CAAC,EAAE,MAAM,CAAC;IACV,CAAC,EAAE,MAAM,CAAC;CACX;AAED,8DAA8D;AAC9D,MAAM,WAAW,SAAS;IACxB,EAAE,EAAE,MAAM,CAAC;IACX,EAAE,EAAE,MAAM,CAAC;IACX,KAAK,EAAE,MAAM,CAAC;CACf;AAED,gEAAgE;AAChE,MAAM,WAAW,cAAc;IAC7B,SAAS,EAAE,MAAM,CAAC;IAClB,KAAK,EAAE,SAAS,EAAE,CAAC;IACnB,SAAS,EAAE,MAAM,CAAC;IAClB,KAAK,EAAE,SAAS,EAAE,CAAC;CACpB;AAED,mDAAmD;AACnD,MAAM,WAAW,sBAAsB;IACrC,+CAA+C;IAC/C,QAAQ,EAAE,KAAK,CAAC;QAAE,IAAI,EAAE,MAAM,CAAC;QAAC,WAAW,EAAE,MAAM,CAAA;KAAE,CAAC,CAAC;IACvD,yFAAyF;IACzF,UAAU,EAAE,MAAM,EAAE,CAAC;IACrB,kEAAkE;IAClE,aAAa,EAAE,MAAM,EAAE,CAAC;IACxB,8CAA8C;IAC9C,WAAW,EAAE,MAAM,EAAE,CAAC;CACvB;AAED,oCAAoC;AACpC,MAAM,WAAW,gBAAgB;IAC/B,KAAK,EAAE,MAAM,CAAC;IACd,IAAI,EAAE,OAAO,GAAG,IAAI,CAAC;IACrB,KAAK,EAAE,MAAM,GAAG,IAAI,CAAC;CACtB;AAED,2DAA2D;AAC3D,MAAM,WAAW,sBAAsB;IACrC,QAAQ,EAAE;QACR,GAAG,EAAE,gBAAgB,CAAC;QACtB,GAAG,EAAE,gBAAgB,CAAC;QACtB,EAAE,EAAE,gBAAgB,CAAC;QACrB,UAAU,EAAE,MAAM,CAAC;QACnB,KAAK,EAAE,gBAAgB,CAAC;KACzB,CAAC;IACF,mFAAmF;IACnF,IAAI,EAAE,OAAO,GAAG,IAAI,CAAC;IACrB,KAAK,EAAE;QACL,cAAc,EAAE,gBAAgB,CAAC;QACjC,IAAI,EAAE,gBAAgB,CAAC;QACvB,UAAU,EAAE,MAAM,CAAC;KACpB,CAAC;CACH;AAID,gDAAgD;AAChD,eAAO,MAAM,mBAAmB,YAC9B,kBAAkB,EAClB,iBAAiB,EACjB,iBAAiB,EACjB,gBAAgB,EAChB,OAAO,EACP,UAAU,EACV,WAAW,EACX,OAAO,EACP,OAAO,EACP,WAAW,EACX,kBAAkB,EAClB,MAAM,EACN,YAAY,EACZ,QAAQ,EACR,iBAAiB,EACjB,oBAAoB,EACpB,oBAAoB,EACpB,gBAAgB,EAChB,kBAAkB,EAClB,iBAAiB,EACjB,wBAAwB,EACxB,0BAA0B,EAC1B,iBAAiB,EACjB,wBAAwB,EACxB,0BAA0B,EAC1B,mBAAmB,EACnB,UAAU,CACF,CAAC;AAEX,6CAA6C;AAC7C,eAAO,MAAM,kBAAkB,YAC7B,kBAAkB,EAClB,iBAAiB,EACjB,WAAW,EACX,iBAAiB,EACjB,gBAAgB,EAChB,UAAU,EACV,OAAO,EACP,MAAM,EACN,iBAAiB,EACjB,oBAAoB,EACpB,oBAAoB,EACpB,gBAAgB,EAChB,QAAQ,EACR,YAAY,CACJ,CAAC;AAEX,sCAAsC;AACtC,eAAO,MAAM,UAAU,YACrB,YAAY,EACZ,IAAI,EACJ,UAAU,EACV,UAAU,EACV,QAAQ,EACR,WAAW,EACX,YAAY,CACJ,CAAC"}
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@@ -1 +1 @@
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1
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-
{"version":3,"file":"types.js","sourceRoot":"","sources":["../../../src/services/pubchem/types.ts"],"names":[],"mappings":"AAAA;;;GAGG;
|
|
1
|
+
{"version":3,"file":"types.js","sourceRoot":"","sources":["../../../src/services/pubchem/types.ts"],"names":[],"mappings":"AAAA;;;GAGG;AAyNH,wEAAwE;AAExE,gDAAgD;AAChD,MAAM,CAAC,MAAM,mBAAmB,GAAG;IACjC,kBAAkB;IAClB,iBAAiB;IACjB,iBAAiB;IACjB,gBAAgB;IAChB,OAAO;IACP,UAAU;IACV,WAAW;IACX,OAAO;IACP,OAAO;IACP,WAAW;IACX,kBAAkB;IAClB,MAAM;IACN,YAAY;IACZ,QAAQ;IACR,iBAAiB;IACjB,oBAAoB;IACpB,oBAAoB;IACpB,gBAAgB;IAChB,kBAAkB;IAClB,iBAAiB;IACjB,wBAAwB;IACxB,0BAA0B;IAC1B,iBAAiB;IACjB,wBAAwB;IACxB,0BAA0B;IAC1B,mBAAmB;IACnB,UAAU;CACF,CAAC;AAEX,6CAA6C;AAC7C,MAAM,CAAC,MAAM,kBAAkB,GAAG;IAChC,kBAAkB;IAClB,iBAAiB;IACjB,WAAW;IACX,iBAAiB;IACjB,gBAAgB;IAChB,UAAU;IACV,OAAO;IACP,MAAM;IACN,iBAAiB;IACjB,oBAAoB;IACpB,oBAAoB;IACpB,gBAAgB;IAChB,QAAQ;IACR,YAAY;CACJ,CAAC;AAEX,sCAAsC;AACtC,MAAM,CAAC,MAAM,UAAU,GAAG;IACxB,YAAY;IACZ,IAAI;IACJ,UAAU;IACV,UAAU;IACV,QAAQ;IACR,WAAW;IACX,YAAY;CACJ,CAAC"}
|
package/manifest.json
CHANGED
|
@@ -1,7 +1,7 @@
|
|
|
1
1
|
{
|
|
2
2
|
"manifest_version": "0.3",
|
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3
3
|
"name": "pubchem-mcp-server",
|
|
4
|
-
"version": "0.4.
|
|
4
|
+
"version": "0.4.2",
|
|
5
5
|
"description": "Search the PubChem chemical database for compounds, properties, safety data, bioactivity, cross-references, and entity summaries via MCP. STDIO or Streamable HTTP.",
|
|
6
6
|
"author": {
|
|
7
7
|
"name": "cyanheads"
|
package/package.json
CHANGED
|
@@ -1,6 +1,6 @@
|
|
|
1
1
|
{
|
|
2
2
|
"name": "@cyanheads/pubchem-mcp-server",
|
|
3
|
-
"version": "0.4.
|
|
3
|
+
"version": "0.4.2",
|
|
4
4
|
"description": "Search the PubChem chemical database for compounds, properties, safety data, bioactivity, cross-references, and entity summaries via MCP. STDIO or Streamable HTTP.",
|
|
5
5
|
"mcpName": "io.github.cyanheads/pubchem-mcp-server",
|
|
6
6
|
"type": "module",
|
|
@@ -39,7 +39,7 @@
|
|
|
39
39
|
"bugs": {
|
|
40
40
|
"url": "https://github.com/cyanheads/pubchem-mcp-server/issues"
|
|
41
41
|
},
|
|
42
|
-
"author": "
|
|
42
|
+
"author": "Casey Hand <casey@caseyjhand.com> (https://caseyjhand.com)",
|
|
43
43
|
"keywords": [
|
|
44
44
|
"mcp",
|
|
45
45
|
"mcp-server",
|
|
@@ -68,22 +68,23 @@
|
|
|
68
68
|
"node": ">=24.0.0",
|
|
69
69
|
"bun": ">=1.3.0"
|
|
70
70
|
},
|
|
71
|
-
"packageManager": "bun@1.3.
|
|
71
|
+
"packageManager": "bun@1.3.14",
|
|
72
72
|
"publishConfig": {
|
|
73
73
|
"access": "public"
|
|
74
74
|
},
|
|
75
75
|
"dependencies": {
|
|
76
|
-
"@cyanheads/mcp-ts-core": "^0.
|
|
76
|
+
"@cyanheads/mcp-ts-core": "^0.11.0",
|
|
77
77
|
"pino-pretty": "^13.1.3",
|
|
78
78
|
"zod": "^4.4.3"
|
|
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79
|
},
|
|
80
80
|
"devDependencies": {
|
|
81
|
-
"@biomejs/biome": "
|
|
82
|
-
"@
|
|
81
|
+
"@biomejs/biome": "2.5.5",
|
|
82
|
+
"@socketsecurity/bun-security-scanner": "^1.1.2",
|
|
83
|
+
"@types/node": "26.1.1",
|
|
83
84
|
"depcheck": "^1.4.7",
|
|
84
|
-
"ignore": "^7.0.
|
|
85
|
-
"tsc-alias": "^1.
|
|
86
|
-
"typescript": "^
|
|
87
|
-
"vitest": "^4.1.
|
|
85
|
+
"ignore": "^7.0.6",
|
|
86
|
+
"tsc-alias": "^1.9.1",
|
|
87
|
+
"typescript": "^7.0.2",
|
|
88
|
+
"vitest": "^4.1.10"
|
|
88
89
|
}
|
|
89
90
|
}
|