@cyanheads/pubchem-mcp-server 0.3.1 → 0.4.1

package/dist/mcp-server/tools/definitions/get-summary.tool.js.map

@@ -1 +1 @@
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package/dist/mcp-server/tools/definitions/index.d.ts

@@ -45,6 +45,9 @@ export declare const allToolDefinitions: (import("@cyanheads/mcp-ts-core").ToolD
         json: "json";
     }>>;
     includeAlternateConformerIds: import("zod").ZodDefault<import("zod").ZodBoolean>;
+    maxAtoms: import("zod").ZodOptional<import("zod").ZodNumber>;
+    maxBonds: import("zod").ZodOptional<import("zod").ZodNumber>;
+    includeRawSdf: import("zod").ZodDefault<import("zod").ZodBoolean>;
 }, import("zod/v4/core").$strip>, import("zod").ZodObject<{
     cid: import("zod").ZodNumber;
     conformerId: import("zod").ZodOptional<import("zod").ZodString>;
@@ -68,7 +71,15 @@ export declare const allToolDefinitions: (import("@cyanheads/mcp-ts-core").ToolD
     readonly code: import("@cyanheads/mcp-ts-core/errors").JsonRpcErrorCode.NotFound;
     readonly when: "PubChem has no computed 3D conformer for the requested CID";
     readonly recovery: "Use pubchem_get_compound_image for the 2D structure, or verify the CID with pubchem_search_compounds.";
-}], undefined> | import("@cyanheads/mcp-ts-core").ToolDefinition<import("zod").ZodObject<{
+}], {
+    readonly truncated: import("zod").ZodOptional<import("zod").ZodBoolean>;
+    readonly shownAtoms: import("zod").ZodOptional<import("zod").ZodNumber>;
+    readonly shownBonds: import("zod").ZodOptional<import("zod").ZodNumber>;
+    readonly atomCap: import("zod").ZodOptional<import("zod").ZodNumber>;
+    readonly bondCap: import("zod").ZodOptional<import("zod").ZodNumber>;
+    readonly shownSdfLines: import("zod").ZodOptional<import("zod").ZodNumber>;
+    readonly notice: import("zod").ZodOptional<import("zod").ZodString>;
+}> | import("@cyanheads/mcp-ts-core").ToolDefinition<import("zod").ZodObject<{
     cids: import("zod").ZodArray<import("zod").ZodNumber>;
     properties: import("zod").ZodOptional<import("zod").ZodArray<import("zod").ZodEnum<{
         [x: string]: string;

package/dist/mcp-server/tools/definitions/index.d.ts.map

@@ -1 +1 @@
-{"version":3,"file":"index.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/index.ts"],"names":[],"mappings":"AAAA;;;GAGG;AAaH,eAAO,MAAM,kBAAkB;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;KAW9B,CAAC"}
+{"version":3,"file":"index.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/index.ts"],"names":[],"mappings":"AAAA;;;GAGG;AAaH,eAAO,MAAM,kBAAkB;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;KAW9B,CAAC"}

package/dist/mcp-server/tools/definitions/untrusted-text.d.ts

@@ -0,0 +1,35 @@
+/**
+ * @fileoverview Framing helpers that render upstream-controlled free text as
+ * clearly-delimited DATA in MCP `content[]` output. PubChem descriptions,
+ * summaries, interaction statements, synonyms, and assay/GHS text are relayed
+ * verbatim into the model's context; rendered as bare prose they blur the
+ * boundary between server-authored instructions and retrieved data and can
+ * inject markdown structure. These helpers keep that boundary explicit and
+ * neutralize markdown-structure injection. `structuredContent` always carries
+ * the raw value — this only shapes the human/LLM text-rendering surface.
+ * @module mcp-server/tools/definitions/untrusted-text
+ */
+/**
+ * Frame a single upstream value for safe inline interpolation into `content[]`
+ * markdown. Collapses embedded newlines (so the value cannot start a new
+ * markdown block) and escapes emphasis / inline-code delimiters. Proportionate
+ * by design: the goal is a data boundary, not heavy escaping.
+ */
+export declare function inlineData(value: string): string;
+/**
+ * Frame multi-line upstream prose as a markdown blockquote — an explicit
+ * "quoted data" boundary distinct from server-authored instructions. Every
+ * line (blank ones included) is prefixed with `>` so the payload cannot break
+ * out of the quote; inline emphasis/code is escaped and a leading block marker
+ * (heading, quote, bullet, ordered list) is defused so it cannot restructure
+ * the surrounding document.
+ */
+export declare function quoteData(text: string): string;
+/**
+ * Wrap raw upstream text in a fenced code block whose fence is guaranteed
+ * longer than any backtick run inside the payload, so a stray ``` cannot close
+ * the fence early and let following lines render as markdown. Preserves the
+ * content verbatim (no character substitution) — used for raw V2000 SDF.
+ */
+export declare function fencedData(content: string, language?: string): string;
+//# sourceMappingURL=untrusted-text.d.ts.map

package/dist/mcp-server/tools/definitions/untrusted-text.d.ts.map

@@ -0,0 +1 @@
+{"version":3,"file":"untrusted-text.d.ts","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/untrusted-text.ts"],"names":[],"mappings":"AAAA;;;;;;;;;;GAUG;AAaH;;;;;GAKG;AACH,wBAAgB,UAAU,CAAC,KAAK,EAAE,MAAM,GAAG,MAAM,CAKhD;AAED;;;;;;;GAOG;AACH,wBAAgB,SAAS,CAAC,IAAI,EAAE,MAAM,GAAG,MAAM,CAW9C;AAED;;;;;GAKG;AACH,wBAAgB,UAAU,CAAC,OAAO,EAAE,MAAM,EAAE,QAAQ,SAAK,GAAG,MAAM,CAIjE"}

package/dist/mcp-server/tools/definitions/untrusted-text.js

@@ -0,0 +1,65 @@
+/**
+ * @fileoverview Framing helpers that render upstream-controlled free text as
+ * clearly-delimited DATA in MCP `content[]` output. PubChem descriptions,
+ * summaries, interaction statements, synonyms, and assay/GHS text are relayed
+ * verbatim into the model's context; rendered as bare prose they blur the
+ * boundary between server-authored instructions and retrieved data and can
+ * inject markdown structure. These helpers keep that boundary explicit and
+ * neutralize markdown-structure injection. `structuredContent` always carries
+ * the raw value — this only shapes the human/LLM text-rendering surface.
+ * @module mcp-server/tools/definitions/untrusted-text
+ */
+/**
+ * Inline markdown delimiters an upstream value could use to break out of a
+ * surrounding emphasis/code span (`**bold**`, `` `code` ``) or inject its own.
+ * Deliberately narrow — ordinary chemistry punctuation (hyphens, parentheses,
+ * brackets, commas, +/=/#) is left intact so legitimate names are not mangled.
+ * Underscore is intentionally excluded: CommonMark treats intraword `_` as
+ * literal, so it is a far weaker vector than `*`, and escaping it collides with
+ * the format-parity linter's underscored sentinels.
+ */
+const INLINE_MARKDOWN = /[`*~]/g;
+/**
+ * Frame a single upstream value for safe inline interpolation into `content[]`
+ * markdown. Collapses embedded newlines (so the value cannot start a new
+ * markdown block) and escapes emphasis / inline-code delimiters. Proportionate
+ * by design: the goal is a data boundary, not heavy escaping.
+ */
+export function inlineData(value) {
+    return value
+        .replace(/\s*[\r\n]+\s*/g, ' ')
+        .replace(INLINE_MARKDOWN, '\\$&')
+        .trim();
+}
+/**
+ * Frame multi-line upstream prose as a markdown blockquote — an explicit
+ * "quoted data" boundary distinct from server-authored instructions. Every
+ * line (blank ones included) is prefixed with `>` so the payload cannot break
+ * out of the quote; inline emphasis/code is escaped and a leading block marker
+ * (heading, quote, bullet, ordered list) is defused so it cannot restructure
+ * the surrounding document.
+ */
+export function quoteData(text) {
+    return text
+        .split(/\r\n?|\n/)
+        .map((rawLine) => {
+        const line = rawLine
+            .replace(INLINE_MARKDOWN, '\\$&')
+            .replace(/^(\s*)([#>+-])/, '$1\\$2')
+            .replace(/^(\s*\d{1,9})([.)])/, '$1\\$2');
+        return line.trim().length > 0 ? `> ${line}` : '>';
+    })
+        .join('\n');
+}
+/**
+ * Wrap raw upstream text in a fenced code block whose fence is guaranteed
+ * longer than any backtick run inside the payload, so a stray ``` cannot close
+ * the fence early and let following lines render as markdown. Preserves the
+ * content verbatim (no character substitution) — used for raw V2000 SDF.
+ */
+export function fencedData(content, language = '') {
+    const longestRun = Math.max(0, ...[...content.matchAll(/`+/g)].map((m) => m[0].length));
+    const fence = '`'.repeat(Math.max(3, longestRun + 1));
+    return `${fence}${language}\n${content}\n${fence}`;
+}
+//# sourceMappingURL=untrusted-text.js.map

package/dist/mcp-server/tools/definitions/untrusted-text.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"untrusted-text.js","sourceRoot":"","sources":["../../../../src/mcp-server/tools/definitions/untrusted-text.ts"],"names":[],"mappings":"AAAA;;;;;;;;;;GAUG;AAEH;;;;;;;;GAQG;AACH,MAAM,eAAe,GAAG,QAAQ,CAAC;AAEjC;;;;;GAKG;AACH,MAAM,UAAU,UAAU,CAAC,KAAa;IACtC,OAAO,KAAK;SACT,OAAO,CAAC,gBAAgB,EAAE,GAAG,CAAC;SAC9B,OAAO,CAAC,eAAe,EAAE,MAAM,CAAC;SAChC,IAAI,EAAE,CAAC;AACZ,CAAC;AAED;;;;;;;GAOG;AACH,MAAM,UAAU,SAAS,CAAC,IAAY;IACpC,OAAO,IAAI;SACR,KAAK,CAAC,UAAU,CAAC;SACjB,GAAG,CAAC,CAAC,OAAO,EAAE,EAAE;QACf,MAAM,IAAI,GAAG,OAAO;aACjB,OAAO,CAAC,eAAe,EAAE,MAAM,CAAC;aAChC,OAAO,CAAC,gBAAgB,EAAE,QAAQ,CAAC;aACnC,OAAO,CAAC,qBAAqB,EAAE,QAAQ,CAAC,CAAC;QAC5C,OAAO,IAAI,CAAC,IAAI,EAAE,CAAC,MAAM,GAAG,CAAC,CAAC,CAAC,CAAC,KAAK,IAAI,EAAE,CAAC,CAAC,CAAC,GAAG,CAAC;IACpD,CAAC,CAAC;SACD,IAAI,CAAC,IAAI,CAAC,CAAC;AAChB,CAAC;AAED;;;;;GAKG;AACH,MAAM,UAAU,UAAU,CAAC,OAAe,EAAE,QAAQ,GAAG,EAAE;IACvD,MAAM,UAAU,GAAG,IAAI,CAAC,GAAG,CAAC,CAAC,EAAE,GAAG,CAAC,GAAG,OAAO,CAAC,QAAQ,CAAC,KAAK,CAAC,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,MAAM,CAAC,CAAC,CAAC;IACxF,MAAM,KAAK,GAAG,GAAG,CAAC,MAAM,CAAC,IAAI,CAAC,GAAG,CAAC,CAAC,EAAE,UAAU,GAAG,CAAC,CAAC,CAAC,CAAC;IACtD,OAAO,GAAG,KAAK,GAAG,QAAQ,KAAK,OAAO,KAAK,KAAK,EAAE,CAAC;AACrD,CAAC"}

package/dist/services/pubchem/pubchem-client.d.ts.map

@@ -1 +1 @@
-{"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;AA6NpB,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;YAoCrB,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"}
+{"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"}

package/dist/services/pubchem/pubchem-client.js

@@ -169,18 +169,142 @@ function parseCodedStatement(text) {
         return { code: codeOnly[1], statement: '' };
     return;
 }
+/** Standard GHS precautionary statement text, keyed by P-code exactly as
+ * `parsePrecautionaryCodes` emits it — individual codes ("P261") and combined codes
+ * ("P305+P351+P338") alike. Decoding a standardized code to its official text is a lookup,
+ * not fabrication — the same static-table decode already applied to pictogram codes.
+ * Primary reference: UN GHS Rev. 10 Annex 3 (2023) — the revision PubChem's GHS depositors
+ * follow — transcribed verbatim (British-English "vapours", consistent with the H-code text).
+ * Combined-code text is assembled from its component single statements, exactly as Annex 3
+ * §A3.2.5.2 prescribes. Codes carrying a free-fill "…" the label author must supply (P501
+ * disposal method, P411 temperature, P320/P321 first-aid reference) and codes deleted in
+ * Rev. 10 (P201, P202, and the P310–P315 family superseded by P316–P319) are omitted — they
+ * fall back to "". The one placeholder resolved rather than omitted is P264, rendered with its
+ * near-universal "hands" body-part fill ("Wash hands thoroughly after handling.") in place of
+ * the bare "Wash [and …] …" template — a decode a reader can act on. */
+const PRECAUTIONARY_STATEMENTS = {
+    // General (P1xx)
+    P101: 'If medical advice is needed, have product container or label at hand.',
+    P102: 'Keep out of reach of children.',
+    P103: 'Read carefully and follow all instructions.',
+    // Prevention (P2xx) — P201/P202 deleted in Rev. 10 (see docstring), omitted → "".
+    P203: 'Obtain, read and follow all safety instructions before use.',
+    P210: 'Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.',
+    P211: 'Do not spray on an open flame or other ignition source.',
+    P220: 'Keep away from clothing and other combustible materials.',
+    P222: 'Do not allow contact with air.',
+    P223: 'Do not allow contact with water.',
+    P232: 'Protect from moisture.',
+    P233: 'Keep container tightly closed.',
+    P234: 'Keep only in original packaging.',
+    P235: 'Keep cool.',
+    P240: 'Ground and bond container and receiving equipment.',
+    P242: 'Use non-sparking tools.',
+    P243: 'Take action to prevent static discharges.',
+    P244: 'Keep valves and fittings free from oil and grease.',
+    P251: 'Do not pierce or burn, even after use.',
+    P260: 'Do not breathe dust/fume/gas/mist/vapours/spray.',
+    P261: 'Avoid breathing dust/fume/gas/mist/vapours/spray.',
+    P262: 'Do not get in eyes, on skin, or on clothing.',
+    P263: 'Avoid contact during pregnancy and while nursing.',
+    P264: 'Wash hands thoroughly after handling.',
+    'P264+P265': 'Wash hands thoroughly after handling. Do not touch eyes.',
+    P265: 'Do not touch eyes.',
+    P270: 'Do not eat, drink or smoke when using this product.',
+    P271: 'Use only outdoors or with adequate ventilation.',
+    P272: 'Contaminated work clothing should not be allowed out of the workplace.',
+    P273: 'Avoid release to the environment.',
+    P280: 'Wear protective gloves/protective clothing/eye protection/face protection/hearing protection/…',
+    P282: 'Wear cold insulating gloves and either face shield or eye protection.',
+    P283: 'Wear fire resistant or flame-retardant clothing.',
+    P284: 'In case of inadequate ventilation wear respiratory protection.',
+    // Response (P3xx)
+    P301: 'IF SWALLOWED:',
+    'P301+P316': 'IF SWALLOWED: Get emergency medical help immediately.',
+    'P301+P317': 'IF SWALLOWED: Get medical help.',
+    'P301+P330+P331': 'IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.',
+    P302: 'IF ON SKIN:',
+    'P302+P334': 'IF ON SKIN: Immerse in cool water [or wrap in wet bandages].',
+    'P302+P352': 'IF ON SKIN: Wash with plenty of water/…',
+    P303: 'IF ON SKIN (or hair):',
+    'P303+P361+P353': 'IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse affected areas with water [or shower].',
+    P304: 'IF INHALED:',
+    'P304+P340': 'IF INHALED: Remove person to fresh air and keep comfortable for breathing.',
+    P305: 'IF IN EYES:',
+    'P305+P351+P338': 'IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.',
+    'P305+P354+P338': 'IF IN EYES: Immediately rinse with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.',
+    P306: 'IF ON CLOTHING:',
+    P308: 'IF exposed or concerned:',
+    'P308+P316': 'IF exposed or concerned: Get emergency medical help immediately.',
+    P316: 'Get emergency medical help immediately.',
+    P317: 'Get medical help.',
+    P318: 'IF exposed or concerned, get medical advice.',
+    P319: 'Get medical help if you feel unwell.',
+    // P320/P321 omitted — free-fill "(see … on this label)" first-aid reference, → "".
+    P330: 'Rinse mouth.',
+    P331: 'Do NOT induce vomiting.',
+    P332: 'If skin irritation occurs:',
+    'P332+P317': 'If skin irritation occurs: Get medical help.',
+    P333: 'If skin irritation or rash occurs:',
+    'P333+P317': 'If skin irritation or rash occurs: Get medical help.',
+    P334: 'Immerse in cool water [or wrap in wet bandages].',
+    P335: 'Brush off loose particles from skin.',
+    P337: 'If eye irritation persists:',
+    'P337+P317': 'If eye irritation persists: Get medical help.',
+    P338: 'Remove contact lenses, if present and easy to do. Continue rinsing.',
+    P340: 'Remove person to fresh air and keep comfortable for breathing.',
+    P342: 'If experiencing respiratory symptoms:',
+    'P342+P316': 'If experiencing respiratory symptoms: Get emergency medical help immediately.',
+    P351: 'Rinse cautiously with water for several minutes.',
+    P352: 'Wash with plenty of water/…',
+    P353: 'Rinse affected areas with water [or shower].',
+    P354: 'Immediately rinse with water for several minutes.',
+    P360: 'Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.',
+    P361: 'Take off immediately all contaminated clothing.',
+    'P361+P364': 'Take off immediately all contaminated clothing and wash it before reuse.',
+    P362: 'Take off contaminated clothing.',
+    'P362+P364': 'Take off contaminated clothing and wash it before reuse.',
+    P363: 'Wash contaminated clothing before reuse.',
+    P364: 'And wash it before reuse.',
+    P370: 'In case of fire:',
+    P372: 'Explosion risk.',
+    P373: 'DO NOT fight fire when fire reaches explosives.',
+    P375: 'Fight fire remotely due to the risk of explosion.',
+    P376: 'Stop leak if safe to do so.',
+    P377: 'Leaking gas fire: Do not extinguish, unless leak can be stopped safely.',
+    P380: 'Evacuate area.',
+    P381: 'In case of leakage, eliminate all ignition sources.',
+    P390: 'Absorb spillage to prevent material damage.',
+    P391: 'Collect spillage.',
+    // Storage (P4xx)
+    P402: 'Store in a dry place.',
+    'P402+P404': 'Store in a dry place. Store in a closed container.',
+    P403: 'Store in a well-ventilated place.',
+    'P403+P233': 'Store in a well-ventilated place. Keep container tightly closed.',
+    'P403+P235': 'Store in a well-ventilated place. Keep cool.',
+    P404: 'Store in a closed container.',
+    P405: 'Store locked up.',
+    P407: 'Maintain air gap between stacks or pallets.',
+    P410: 'Protect from sunlight.',
+    'P410+P403': 'Protect from sunlight. Store in a well-ventilated place.',
+    P420: 'Store separately.',
+    // Disposal (P5xx)
+    P502: 'Refer to manufacturer or supplier for information on recovery or recycling.',
+};
 /** Parse PubChem's comma-separated precautionary code list — e.g.
- * "P261, P264+P265, P305+P351+P338, P405, and P501" — into code-only entries.
- * PubChem deposits precautionary statements as codes without descriptive text, so
- * `statement` is always empty; we don't fabricate the standard P-statement text.
- * Handles the terminal Oxford "and", combined (`Pxxx+Pyyy`) and triple codes, and
- * skips any token that isn't a P-code. */
+ * "P261, P264+P265, P305+P351+P338, P405, and P501" — into { code, statement } entries.
+ * PubChem deposits precautionary statements as bare codes (no text), so each code is decoded
+ * to its standard UN GHS statement via PRECAUTIONARY_STATEMENTS, falling back to "" for any
+ * code not in the table (free-fill placeholder or Rev. 10-deleted codes). Handles the terminal
+ * Oxford "and", combined (`Pxxx+Pyyy`) and triple codes, and skips any token that isn't a
+ * P-code. */
 function parsePrecautionaryCodes(text) {
     const entries = [];
     for (const token of text.split(',')) {
         const code = token.trim().replace(/^and\s+/i, '');
-        if (/^P\d{3}(?:\+P\d{3})*$/.test(code))
-            entries.push({ code, statement: '' });
+        if (/^P\d{3}(?:\+P\d{3})*$/.test(code)) {
+            entries.push({ code, statement: PRECAUTIONARY_STATEMENTS[code] ?? '' });
+        }
     }
     return entries;
 }
@@ -756,9 +880,12 @@ export class PubChemClient {
             const acname = typeof row.acname === 'string' ? row.acname : '';
             const qualifier = typeof row.acqualifier === 'string' ? row.acqualifier : '';
             const acvalue = row.acvalue == null ? '' : String(row.acvalue).trim();
-            // Faithful to the source: the bioactivity collection carries no unit column, so the raw
-            // activity value is surfaced without an asserted unit.
-            const activity = acname && acvalue ? `${acname} ${qualifier} ${acvalue}`.replace(/\s+/g, ' ').trim() : '';
+            // The bioactivity collection exposes no unit column, but its acvalue is PubChem's
+            // normalized micromolar figure: depositors must submit AC-summary metrics (IC50/EC50/
+            // AC50/Ki/Potency) in µM, and these values cross-validate exactly against the
+            // assaysummary endpoint's "Activity Value [uM]" column. We assert that documented µM
+            // convention here — it is not a per-row unit fetched from SDQ (none exists to fetch).
+            const activity = acname && acvalue ? `${acname} ${qualifier} ${acvalue} uM`.replace(/\s+/g, ' ').trim() : '';
             entries.push({
                 kind: 'target',
                 source: typeof row.aidsrcname === 'string' && row.aidsrcname ? row.aidsrcname : 'PubChem',

package/dist/services/pubchem/pubchem-client.js.map

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package/manifest.json

@@ -1,7 +1,7 @@
 {
   "manifest_version": "0.3",
   "name": "pubchem-mcp-server",
-  "version": "0.3.1",
+  "version": "0.4.1",
   "description": "Search the PubChem chemical database for compounds, properties, safety data, bioactivity, cross-references, and entity summaries via MCP. STDIO or Streamable HTTP.",
   "author": {
     "name": "cyanheads"

package/package.json

@@ -1,6 +1,6 @@
 {
   "name": "@cyanheads/pubchem-mcp-server",
-  "version": "0.3.1",
+  "version": "0.4.1",
   "description": "Search the PubChem chemical database for compounds, properties, safety data, bioactivity, cross-references, and entity summaries via MCP. STDIO or Streamable HTTP.",
   "mcpName": "io.github.cyanheads/pubchem-mcp-server",
   "type": "module",

package/server.json

@@ -6,7 +6,7 @@
     "url": "https://github.com/cyanheads/pubchem-mcp-server",
     "source": "github"
   },
-  "version": "0.3.1",
+  "version": "0.4.1",
   "remotes": [
     {
       "type": "streamable-http",
@@ -19,7 +19,7 @@
       "registryBaseUrl": "https://registry.npmjs.org",
       "identifier": "@cyanheads/pubchem-mcp-server",
       "runtimeHint": "bun",
-      "version": "0.3.1",
+      "version": "0.4.1",
       "packageArguments": [
         { "type": "positional", "value": "run" },
         { "type": "positional", "value": "start:stdio" }
@@ -42,7 +42,7 @@
       "registryBaseUrl": "https://registry.npmjs.org",
       "identifier": "@cyanheads/pubchem-mcp-server",
       "runtimeHint": "bun",
-      "version": "0.3.1",
+      "version": "0.4.1",
       "packageArguments": [
         { "type": "positional", "value": "run" },
         { "type": "positional", "value": "start:http" }