Get Compound Safety

Previous value: -"PubChem Compound IDs to fetch safety data for (1-25). Resolve from names/SMILES with pubchem_search_compounds."New value: +"PubChem Compound IDs to fetch safety data for. The per-call cap is 25: the first 25 are looked up, and any past that (up to 1000 in all) are returned in unprocessed, in input order, and reported in cappedInputs. Resolve from names/SMILES with pubchem_search_compounds."

Previous value: -9007199254740991New value: +2147483647

Previous value: -25New value: +1000

Added value: +{
+  "description": "Inputs that asked for more than their per-call cap, with the value requested and the value served. An ID batch lists the IDs past the cap in unprocessed. Omitted when every input was within its cap.",
+  "items": {
+    "additionalProperties": false,
+    "description": "One input served at its per-call cap.",
+    "properties": {
+      "input": {
+        "description": "Input name, e.g. \"maxResults\" or \"cids\".",
+        "type": "string"
+      },
+      "requested": {
+        "description": "Value requested: the page size, or the number of IDs in the batch.",
+        "type": "number"
+      },
+      "served": {
+        "description": "Value served: the per-call cap.",
+        "type": "number"
+      },
+      "unprocessed": {
+        "description": "ID batches only: IDs past the cap, listed in unprocessed in input order.",
+        "type": "number"
+      }
+    },
+    "required": [
+      "input",
+      "requested",
+      "served"
+    ],
+    "type": "object"
+  },
+  "type": "array"
+}

Previous value: -"Recovery guidance when one or more CIDs returned no GHS data, listing the unrecognized CIDs to verify separately from the CIDs that exist but carry no deposited classification."New value: +"Guidance when one or more CIDs returned no hazard classification, listing the unrecognized CIDs to verify, the CIDs that exist but carry no deposited classification, and the CIDs whose only classifications are \"Not Classified\" verdicts, each separately."

Previous value: -"CIDs requested."New value: +"CIDs requested, including any past the per-call cap left in unprocessed."

Previous value: -"Safety results, one per requested CID (input order preserved)."New value: +"Safety results, one per CID looked up (input order preserved). CIDs past the per-call cap are in unprocessed instead."

Added value: +{
+  "description": "Each source's classification in PubChem's order — EU harmonised, the ECHA C&L aggregate, single-company ECHA notifications, NITE-CMC revisions, and others. Sources can disagree; the top-level fields merge them.",
+  "items": {
+    "additionalProperties": false,
+    "description": "One source's GHS classification, kept whole.",
+    "properties": {
+      "hazardCodes": {
+        "description": "Hazard codes this classification assigns. Empty for a \"Not Classified\" verdict.",
+        "items": {
+          "additionalProperties": false,
+          "description": "Hazard code assigned by this classification.",
+          "properties": {
+            "agreement": {
+              "description": "Share of notifying companies that assigned this code, exactly as PubChem prints it (e.g. \"37.7%\", \"> 99.9%\"). Present only where PubChem prints one beside the code, which is ECHA C&L classifications; read it against \"notifications\" — a single-company notification reports 100%.",
+              "type": "string"
+            },
+            "code": {
+              "description": "H-code (e.g. \"H319\"). Statement text is in the top-level hazardStatements.",
+              "type": "string"
+            }
+          },
+          "required": [
+            "code"
+          ],
+          "type": "object"
+        },
+        "type": "array"
+      },
+      "notClassified": {
+        "description": "True when this classification is ECHA's \"Not Classified\" verdict: notifiers assessed the compound and found it meets no GHS hazard criteria. Omitted otherwise.",
+        "type": "boolean"
+      },
+      "notifications": {
+        "description": "Notifier counts behind an ECHA classification: the first line of ECHA's C&L notifications summary (e.g. \"Aggregated GHS information provided per 13886 reports by companies from 79 notifications…\"), or for a \"Not Classified\" verdict the verdict line (e.g. \"Reported as not meeting GHS hazard criteria by 188 of 203 companies…\"). Omitted for sources that deposit no counts.",
+        "type": "string"
+      },
+      "pictograms": {
+        "description": "This classification's pictogram labels.",
+        "items": {
+          "type": "string"
+        },
+        "type": "array"
+      },
+      "signalWord": {
+        "description": "This classification's signal word. Omitted when the source assigns none.",
+        "type": "string"
+      },
+      "source": {
+        "description": "Depositing source (e.g. \"European Chemicals Agency (ECHA)\", \"NITE-CMC\"). Omitted when PubChem names no reference for the classification.",
+        "type": "string"
+      },
+      "sourceRecord": {
+        "description": "The source's own record title (e.g. \"Ethanol - FY2013 (Revised classification)\", \"Ethanol (EC: 200-578-6)\"). Tells revisions of one source, and the ECHA C&L aggregate from single-company ECHA notifications, apart.",
+        "type": "string"
+      }
+    },
+    "required": [
+      "pictograms",
+      "hazardCodes"
+    ],
+    "type": "object"
+  },
+  "type": "array"
+}

Previous value: -"GHS hazard statements."New value: +"GHS hazard statements, union across classifications. A code here may come from a single source — see classifications for which source assigned it and with what notifier agreement."

Previous value: -"GHS pictogram labels (e.g. \"Flammable\", \"Toxic\")."New value: +"GHS pictogram labels (e.g. \"Flammable\", \"Acute Toxic\"), union across classifications."

Previous value: -"GHS precautionary statements."New value: +"GHS precautionary statements, union across classifications."

Previous value: -"GHS signal word: \"Danger\" or \"Warning\"."New value: +"GHS signal word, \"Danger\" or \"Warning\": the most severe any classification assigns. Omitted when none assigns one."

Previous value: -[
-  "pictograms",
-  "hazardStatements",
-  "precautionaryStatements"
-]New value: +[
+  "pictograms",
+  "hazardStatements",
+  "precautionaryStatements",
+  "classifications"
+]

Previous value: -"Whether GHS safety data is available for this compound."New value: +"Whether a GHS classification is on file for this compound (status \"ok\" or \"not_classified\"); \"ghs\" is present exactly when this is true."

Previous value: -"Data source attribution."New value: +"Sources that deposited a GHS classification, in PubChem's order, joined with \"; \"."

Previous value: -"Outcome for this CID. \"ok\": GHS data returned. \"no_ghs_data\": the compound exists in PubChem but has no deposited GHS classification. \"cid_not_found\": PubChem has no record for this CID at all — the identifier is wrong, so verify it with pubchem_search_compounds rather than concluding the compound is unclassified."New value: +"Outcome for this CID. \"ok\": GHS hazard classification returned. \"not_classified\": every deposited classification is an ECHA \"Not Classified\" verdict — notifiers assessed the compound and found it meets no GHS hazard criteria; the verdicts and their notifier counts are in ghs.classifications. \"no_ghs_data\": the compound exists in PubChem but has no deposited GHS classification. \"cid_not_found\": PubChem has no record for this CID at all — the identifier is wrong, so verify it with pubchem_search_compounds rather than concluding the compound is unclassified."

Previous value: -[
-  "ok",
-  "no_ghs_data",
-  "cid_not_found"
-]New value: +[
+  "ok",
+  "not_classified",
+  "no_ghs_data",
+  "cid_not_found"
+]

Added value: +{
+  "description": "CIDs past the per-call cap of 25, in input order, not looked up. Pass them in a follow-up call. Omitted when every CID was looked up.",
+  "items": {
+    "type": "number"
+  },
+  "type": "array"
+}

Previous value: -"CIDs with GHS safety data available."New value: +"CIDs with a GHS classification on file (status \"ok\" or \"not_classified\")."

Removed value: -0

Added value: +1

Previous value: -"http://json-schema.org/draft-07/schema#"New value: +"https://json-schema.org/draft/2020-12/schema"

Added value: +false

Previous value: -"http://json-schema.org/draft-07/schema#"New value: +"https://json-schema.org/draft/2020-12/schema"

Added value: +[
+  {
+    "not": {
+      "required": [
+        "error"
+      ]
+    },
+    "required": [
+      "results",
+      "requestedCount",
+      "withDataCount"
+    ]
+  },
+  {
+    "required": [
+      "error"
+    ]
+  }
+]

Added value: +{
+  "additionalProperties": {},
+  "description": "Present when the call failed. Absent on success.",
+  "properties": {
+    "code": {
+      "description": "JSON-RPC error code for this failure.",
+      "maximum": 9007199254740991,
+      "minimum": -9007199254740991,
+      "type": "integer"
+    },
+    "data": {
+      "additionalProperties": {},
+      "properties": {
+        "reason": {
+          "description": "Machine-readable failure mode.",
+          "type": "string"
+        },
+        "recovery": {
+          "additionalProperties": {},
+          "description": "Actionable next step for the caller.",
+          "properties": {
+            "hint": {
+              "type": "string"
+            }
+          },
+          "required": [
+            "hint"
+          ],
+          "type": "object"
+        },
+        "retryable": {
+          "description": "Whether retrying may succeed.",
+          "type": "boolean"
+        }
+      },
+      "type": "object"
+    },
+    "message": {
+      "description": "Human-readable description of what went wrong.",
+      "type": "string"
+    }
+  },
+  "required": [
+    "code",
+    "message"
+  ],
+  "type": "object"
+}

Removed value: -[
-  "results",
-  "requestedCount",
-  "withDataCount"
-]

Previous value: -"Cross-tool guidance when one or more CIDs have no GHS data, pointing to an alternative source."New value: +"Recovery guidance when one or more CIDs returned no GHS data, listing the unrecognized CIDs to verify separately from the CIDs that exist but carry no deposited classification."

Added value: +{
+  "description": "Whether \"statement\" carries the standard text. False for codes needing label-specific fill text the depositor must supply (disposal method, firefighting agent, first-aid reference) and for codes outside the decoder table; the code itself is still authoritative.",
+  "type": "boolean"
+}

Previous value: -"Precautionary statement text."New value: +"Standard precautionary statement text for the code. Empty string when \"decoded\" is false — PubChem deposits P-codes without text, so a blank statement means the code was not decoded, never that the depositor supplied an empty statement."

Previous value: -[
-  "code",
-  "statement"
-]New value: +[
+  "code",
+  "statement",
+  "decoded"
+]

Added value: +{
+  "description": "Outcome for this CID. \"ok\": GHS data returned. \"no_ghs_data\": the compound exists in PubChem but has no deposited GHS classification. \"cid_not_found\": PubChem has no record for this CID at all — the identifier is wrong, so verify it with pubchem_search_compounds rather than concluding the compound is unclassified.",
+  "enum": [
+    "ok",
+    "no_ghs_data",
+    "cid_not_found"
+  ],
+  "type": "string"
+}

Previous value: -[
-  "cid",
-  "hasData"
-]New value: +[
+  "cid",
+  "hasData",
+  "status"
+]

Removed value: -{
-  "description": "PubChem Compound ID. Resolve from name/SMILES with pubchem_search_compounds.",
-  "exclusiveMinimum": 0,
-  "maximum": 9007199254740991,
-  "type": "integer"
-}

Added value: +{
+  "description": "PubChem Compound IDs to fetch safety data for (1-25). Resolve from names/SMILES with pubchem_search_compounds.",
+  "items": {
+    "exclusiveMinimum": 0,
+    "maximum": 9007199254740991,
+    "type": "integer"
+  },
+  "maxItems": 25,
+  "minItems": 1,
+  "type": "array"
+}

Previous value: -[
-  "cid"
-]New value: +[
+  "cids"
+]

Removed value: -{
-  "description": "PubChem Compound ID.",
-  "type": "number"
-}

Removed value: -{
-  "additionalProperties": false,
-  "description": "GHS classification data.",
-  "properties": {
-    "hazardStatements": {
-      "description": "GHS hazard statements.",
-      "items": {
-        "additionalProperties": false,
-        "description": "GHS hazard statement entry.",
-        "properties": {
-          "code": {
-            "description": "H-code (e.g. \"H225\").",
-            "type": "string"
-          },
-          "statement": {
-            "description": "Hazard statement text.",
-            "type": "string"
-          }
-        },
-        "required": [
-          "code",
-          "statement"
-        ],
-        "type": "object"
-      },
-      "type": "array"
-    },
-    "pictograms": {
-      "description": "GHS pictogram labels (e.g. \"Flammable\", \"Toxic\").",
-      "items": {
-        "type": "string"
-      },
-      "type": "array"
-    },
-    "precautionaryStatements": {
-      "description": "GHS precautionary statements.",
-      "items": {
-        "additionalProperties": false,
-        "description": "GHS precautionary statement entry.",
-        "properties": {
-          "code": {
-            "description": "P-code (e.g. \"P210\").",
-            "type": "string"
-          },
-          "statement": {
-            "description": "Precautionary statement text.",
-            "type": "string"
-          }
-        },
-        "required": [
-          "code",
-          "statement"
-        ],
-        "type": "object"
-      },
-      "type": "array"
-    },
-    "signalWord": {
-      "description": "GHS signal word: \"Danger\" or \"Warning\".",
-      "type": "string"
-    }
-  },
-  "required": [
-    "pictograms",
-    "hazardStatements",
-    "precautionaryStatements"
-  ],
-  "type": "object"
-}

Removed value: -{
-  "description": "Whether GHS safety data is available for this compound.",
-  "type": "boolean"
-}

Added value: +{
+  "description": "Cross-tool guidance when one or more CIDs have no GHS data, pointing to an alternative source.",
+  "type": "string"
+}

Added value: +{
+  "description": "CIDs requested.",
+  "type": "number"
+}

Added value: +{
+  "description": "Safety results, one per requested CID (input order preserved).",
+  "items": {
+    "additionalProperties": false,
+    "description": "Per-CID safety result.",
+    "properties": {
+      "cid": {
+        "description": "PubChem Compound ID.",
+        "type": "number"
+      },
+      "ghs": {
+        "additionalProperties": false,
+        "description": "GHS classification data.",
+        "properties": {
+          "hazardStatements": {
+            "description": "GHS hazard statements.",
+            "items": {
+              "additionalProperties": false,
+              "description": "GHS hazard statement entry.",
+              "properties": {
+                "code": {
+                  "description": "H-code (e.g. \"H225\").",
+                  "type": "string"
+                },
+                "statement": {
+                  "description": "Hazard statement text.",
+                  "type": "string"
+                }
+              },
+              "required": [
+                "code",
+                "statement"
+              ],
+              "type": "object"
+            },
+            "type": "array"
+          },
+          "pictograms": {
+            "description": "GHS pictogram labels (e.g. \"Flammable\", \"Toxic\").",
+            "items": {
+              "type": "string"
+            },
+            "type": "array"
+          },
+          "precautionaryStatements": {
+            "description": "GHS precautionary statements.",
+            "items": {
+              "additionalProperties": false,
+              "description": "GHS precautionary statement entry.",
+              "properties": {
+                "code": {
+                  "description": "P-code (e.g. \"P210\").",
+                  "type": "string"
+                },
+                "statement": {
+                  "description": "Precautionary statement text.",
+                  "type": "string"
+                }
+              },
+              "required": [
+                "code",
+                "statement"
+              ],
+              "type": "object"
+            },
+            "type": "array"
+          },
+          "signalWord": {
+            "description": "GHS signal word: \"Danger\" or \"Warning\".",
+            "type": "string"
+          }
+        },
+        "required": [
+          "pictograms",
+          "hazardStatements",
+          "precautionaryStatements"
+        ],
+        "type": "object"
+      },
+      "hasData": {
+        "description": "Whether GHS safety data is available for this compound.",
+        "type": "boolean"
+      },
+      "source": {
+        "description": "Data source attribution.",
+        "type": "string"
+      }
+    },
+    "required": [
+      "cid",
+      "hasData"
+    ],
+    "type": "object"
+  },
+  "type": "array"
+}

Removed value: -{
-  "description": "Data source attribution.",
-  "type": "string"
-}

Added value: +{
+  "description": "CIDs with GHS safety data available.",
+  "type": "number"
+}

Previous value: -[
-  "cid",
-  "hasData"
-]New value: +[
+  "results",
+  "requestedCount",
+  "withDataCount"
+]

Previous value: -"PubChem Compound ID."New value: +"PubChem Compound ID. Resolve from name/SMILES with pubchem_search_compounds."

Added value: +"GHS hazard statement entry."

Added value: +"GHS precautionary statement entry."