{ "opencollection": "1.0.0", "info": { "name": "PubChem PUG REST Compounds API", "version": "1.0.0" }, "items": [ { "info": { "name": "Compounds", "type": "folder" }, "items": [ { "info": { "name": "Get compound records by CID", "type": "http" }, "http": { "method": "GET", "url": "https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/:cids/:format", "params": [ { "name": "cids", "value": "2244,5793", "type": "path", "description": "Comma-separated list of Compound IDs (CIDs)" }, { "name": "format", "value": "", "type": "path", "description": "Output format" }, { "name": "record_type", "value": "", "type": "query", "description": "Type of conformer for compounds" }, { "name": "image_size", "value": "", "type": "query", "description": "Image size - large (300x300), small (100x100), or custom (e.g. 320x240)" }, { "name": "callback", "value": "", "type": "query", "description": "Callback function name for JSONP format" } ] }, "docs": "Retrieve full compound records for the specified CIDs" }, { "info": { "name": "Get compound records by name", "type": "http" }, "http": { "method": "GET", "url": "https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/:name/:format", "params": [ { "name": "name", "value": "aspirin", "type": "path", "description": "Chemical name" }, { "name": "format", "value": "", "type": "path", "description": "Output format" }, { "name": "name_type", "value": "", "type": "query", "description": "Name matching type" }, { "name": "record_type", "value": "", "type": "query", "description": "Type of conformer for compounds" }, { "name": "image_size", "value": "", "type": "query", "description": "Image size for PNG format" }, { "name": "callback", "value": "", "type": "query", "description": "Callback function name for JSONP format" } ] }, "docs": "Retrieve compound records for the specified chemical name" }, { "info": { "name": "Get compound records by SMILES", "type": "http" }, "http": { "method": "GET", "url": "https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/:smiles/:format", "params": [ { "name": "smiles", "value": "CCCC", "type": "path", "description": "SMILES string (URL-encoded)" }, { "name": "format", "value": "", "type": "path", "description": "Output format" }, { "name": "record_type", "value": "", "type": "query", "description": "Type of conformer for compounds" }, { "name": "image_size", "value": "", "type": "query", "description": "Image size for PNG format" }, { "name": "callback", "value": "", "type": "query", "description": "Callback function name for JSONP format" } ] }, "docs": "Retrieve compound records for the specified SMILES string" }, { "info": { "name": "Get compound records by InChI Key", "type": "http" }, "http": { "method": "GET", "url": "https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/:inchikey/:format", "params": [ { "name": "inchikey", "value": "BPGDAMSIGCZZLK-UHFFFAOYSA-N", "type": "path", "description": "InChI Key" }, { "name": "format", "value": "", "type": "path", "description": "Output format" }, { "name": "record_type", "value": "", "type": "query", "description": "Type of conformer for compounds" }, { "name": "image_size", "value": "", "type": "query", "description": "Image size for PNG format" }, { "name": "callback", "value": "", "type": "query", "description": "Callback function name for JSONP format" } ] }, "docs": "Retrieve compound records for the specified InChI Key" }, { "info": { "name": "Get compound properties", "type": "http" }, "http": { "method": "GET", "url": "https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/:cids/property/:properties/:format", "params": [ { "name": "cids", "value": "1,2,3,4,5", "type": "path", "description": "Comma-separated list of Compound IDs (CIDs)" }, { "name": "properties", "value": "MolecularFormula,MolecularWeight,InChIKey", "type": "path", "description": "Comma-separated list of property names" }, { "name": "format", "value": "", "type": "path", "description": "Output format" }, { "name": "callback", "value": "", "type": "query", "description": "Callback function name for JSONP format" } ] }, "docs": "Retrieve specific properties for the specified compounds" }, { "info": { "name": "Get compound synonyms", "type": "http" }, "http": { "method": "GET", "url": "https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/:cids/synonyms/:format", "params": [ { "name": "cids", "value": "2244", "type": "path", "description": "Comma-separated list of Compound IDs (CIDs)" }, { "name": "format", "value": "", "type": "path", "description": "Output format" }, { "name": "callback", "value": "", "type": "query", "description": "Callback function name for JSONP format" } ] }, "docs": "Retrieve synonyms for the specified compounds" } ] } ], "bundled": true }