@cyanheads/pubchem-mcp-server 0.4.0 → 0.4.1
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
CHANGED
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@@ -7,7 +7,7 @@
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<div align="center">
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[](./CHANGELOG.md) [](./LICENSE) [](https://github.com/users/cyanheads/packages/container/package/pubchem-mcp-server) [](https://modelcontextprotocol.io/) [](https://www.npmjs.com/package/@cyanheads/pubchem-mcp-server) [](https://www.typescriptlang.org/) [](https://bun.sh/)
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</div>
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{"version":3,"file":"pubchem-client.d.ts","sourceRoot":"","sources":["../../../src/services/pubchem/pubchem-client.ts"],"names":[],"mappings":"AAAA;;;;GAIG;AAIH,OAAO,KAAK,EAGV,cAAc,EAEd,sBAAsB,EAEtB,iBAAiB,EAEjB,kBAAkB,EAQnB,MAAM,YAAY,CAAC;AA8VpB,qBAAa,aAAa;IACxB,OAAO,CAAC,QAAQ,CAAC,OAAO,CAA+C;IACvE,OAAO,CAAC,QAAQ,CAAC,QAAQ,CAAoD;IAC7E,OAAO,CAAC,QAAQ,CAAC,OAAO,CAAuD;IAC/E,OAAO,CAAC,QAAQ,CAAC,WAAW,CAAsB;IAIlD;;;;6CAIyC;YAC3B,aAAa;YA8Cb,SAAS;YAKT,WAAW;IAKzB,sFAAsF;YACxE,SAAS;IAOvB,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;IAY3C,QAAQ,CAAC,GAAG,EAAE,MAAM,EAAE,IAAI,GAAE,OAAO,GAAG,OAAiB,GAAG,OAAO,CAAC,WAAW,CAAC;IAkB9E,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;IAkE7D,iBAAiB,CAAC,GAAG,EAAE,MAAM,GAAG,OAAO,CAAC,sBAAsB,GAAG,IAAI,CAAC;IA2EtE,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;IAoC1C;;;yFAGqF;IAC/E,eAAe,CACnB,GAAG,EAAE,MAAM,EACX,KAAK,EAAE,KAAK,CAAC,WAAW,GAAG,WAAW,GAAG,QAAQ,CAAC,EAClD,UAAU,EAAE,MAAM,GACjB,OAAO,CAAC,kBAAkB,CAAC;IAuB9B,OAAO,CAAC,sBAAsB;YAehB,uBAAuB;IAgBrC;;;;;qCAKiC;YACnB,qBAAqB;YAuCrB,uBAAuB;IA6BrC;;;;kEAI8D;YAChD,QAAQ;IAuCtB;8FAC0F;IACpF,QAAQ,CAAC,GAAG,EAAE,MAAM,GAAG,OAAO,CAAC,MAAM,CAAC;IAiB5C,2FAA2F;IACrF,eAAe,CAAC,GAAG,EAAE,MAAM,GAAG,OAAO,CAAC,MAAM,EAAE,CAAC;CAWtD;AAMD,wBAAgB,iBAAiB,IAAI,IAAI,CAExC;AAED,wBAAgB,gBAAgB,IAAI,aAAa,CAIhD"}
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@@ -169,18 +169,142 @@ function parseCodedStatement(text) {
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return { code: codeOnly[1], statement: '' };
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return;
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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 "". The one placeholder resolved rather than omitted is P264, rendered with its
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* near-universal "hands" body-part fill ("Wash hands thoroughly after handling.") in place of
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* the bare "Wash [and …] …" template — a decode a reader can act on. */
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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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/** Parse PubChem's comma-separated precautionary code list — e.g.
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* "P261, P264+P265, P305+P351+P338, P405, and P501" — into code
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* PubChem deposits precautionary statements as codes
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*
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*
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* skips any token that isn't a
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* "P261, P264+P265, P305+P351+P338, P405, and P501" — into { code, statement } entries.
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* PubChem deposits precautionary statements as bare codes (no text), so each code is decoded
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* to its standard UN GHS statement via PRECAUTIONARY_STATEMENTS, falling back to "" for any
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* code not in the table (free-fill placeholder or Rev. 10-deleted codes). Handles the terminal
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* Oxford "and", combined (`Pxxx+Pyyy`) and triple codes, and skips any token that isn't a
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* P-code. */
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function parsePrecautionaryCodes(text) {
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for (const token of text.split(',')) {
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const code = token.trim().replace(/^and\s+/i, '');
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if (/^P\d{3}(?:\+P\d{3})*$/.test(code))
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entries.push({ code, statement: '' });
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if (/^P\d{3}(?:\+P\d{3})*$/.test(code)) {
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entries.push({ code, statement: PRECAUTIONARY_STATEMENTS[code] ?? '' });
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}
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}
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return entries;
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}
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const acname = typeof row.acname === 'string' ? row.acname : '';
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const qualifier = typeof row.acqualifier === 'string' ? row.acqualifier : '';
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const acvalue = row.acvalue == null ? '' : String(row.acvalue).trim();
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// The bioactivity collection exposes no unit column, but its acvalue is PubChem's
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// normalized micromolar figure: depositors must submit AC-summary metrics (IC50/EC50/
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// AC50/Ki/Potency) in µM, and these values cross-validate exactly against the
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// assaysummary endpoint's "Activity Value [uM]" column. We assert that documented µM
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// convention here — it is not a per-row unit fetched from SDQ (none exists to fetch).
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const activity = acname && acvalue ? `${acname} ${qualifier} ${acvalue} uM`.replace(/\s+/g, ' ').trim() : '';
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entries.push({
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kind: 'target',
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source: typeof row.aidsrcname === 'string' && row.aidsrcname ? row.aidsrcname : 'PubChem',
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1
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|
package/manifest.json
CHANGED
|
@@ -1,7 +1,7 @@
|
|
|
1
1
|
{
|
|
2
2
|
"manifest_version": "0.3",
|
|
3
3
|
"name": "pubchem-mcp-server",
|
|
4
|
-
"version": "0.4.
|
|
4
|
+
"version": "0.4.1",
|
|
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": "0.4.1",
|
|
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",
|
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": "0.4.
|
|
9
|
+
"version": "0.4.1",
|
|
10
10
|
"remotes": [
|
|
11
11
|
{
|
|
12
12
|
"type": "streamable-http",
|
|
@@ -19,7 +19,7 @@
|
|
|
19
19
|
"registryBaseUrl": "https://registry.npmjs.org",
|
|
20
20
|
"identifier": "@cyanheads/pubchem-mcp-server",
|
|
21
21
|
"runtimeHint": "bun",
|
|
22
|
-
"version": "0.4.
|
|
22
|
+
"version": "0.4.1",
|
|
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": "0.4.
|
|
45
|
+
"version": "0.4.1",
|
|
46
46
|
"packageArguments": [
|
|
47
47
|
{ "type": "positional", "value": "run" },
|
|
48
48
|
{ "type": "positional", "value": "start:http" }
|