{ "components": { "filter-columns": { "summary": "Chemical directory filter column list", "description": "This API is used to display filter column list data.", "tags": [ "Chemical Directory" ], "consumes": [ "application/json" ], "produces": [ "application/json" ], "responses": { "200": { "description": "When filter column list data displayed successfully.", "content": { "application/json": { "schema": { "oneOf": [ { "type": "object", "properties": { "status": { "type": "boolean", "example": true }, "code": { "type": "string", "message": "Success" }, "data": { "type": "object", "example": { "columns": [ { "value": "CAS_RN", "name": "CAS RN" }, { "value": "PUBCHEM_ID", "name": "PUBCHEM ID" }, { "value": "CHEMICAL_NAME", "name": "CHEMICAL NAME" }, { "value": "CHEMICAL_NAME_CUSTOM", "name": "CHEMICAL NAME (MULTIPLE-KEYWORD)" }, { "value": "SYNONYMS_COMMON_NAME", "name": "SYNONYMS / COMMON NAME" }, { "value": "IUPAC", "name": "IUPAC" }, { "value": "CAS_NAME", "name": "CAS NAME" }, { "value": "SMILES_CODE", "name": "SMILES CODE" } ] } } } }, { "type": "object", "properties": { "status": { "type": "boolean", "example": true }, "data": { "type": "object", "example": [] } } } ] } } } }, "400": { "description": "Validation errors.", "content": { "application/json": { "schema": { "oneOf": [ { "properties": { "status": { "type": "boolean", "example": false }, "code": { "type": "string", "example": "INVALID_API_KEY" }, "errors": { "type": "array", "example": [ "api access key is missing." ] } } } ] } } } } } }, "structure-filter-columns": { "summary": "Chemical structure columns list", "description": "This API is used to display filter column list data.", "tags": [ "Chemical Directory" ], "consumes": [ "application/json" ], "produces": [ "application/json" ], "responses": { "200": { "description": "When columns list data displayed successfully.", "content": { "application/json": { "schema": { "oneOf": [ { "type": "object", "properties": { "code": { "type": "string", "message": "Success" }, "data": { "type": "object", "example": { "columns": [ { "value": "SMILES_CODE", "name": "SMILES" }, { "value": "INCHI", "name": "InChl" }, { "value": "INCHIKEY", "name": "InChl Key" }, { "value": "CHEMICAL_NAME", "name": "CHEMICAL NAME" }, { "value": "IUPAC", "name": "IUPAC" }, { "value": "CAS_RN", "name": "CAS Number" }, { "value": "MOLECULAR_FORMULA", "name": "Molecular Formula" } ], "examples": [ { "column": "SMILES_CODE", "keyword": "C#C" }, { "column": "INCHI", "keyword": "acetylene" }, { "column": "INCHIKEY", "keyword": "C2H2" }, { "column": "CHEMICAL_NAME", "keyword": "ethyne" }, { "column": "IUPAC", "keyword": "InChI=1S/C2H2/c1-2/h1-2H" }, { "column": "CAS_RN", "keyword": "HSFWRNGVRCDJHI-UHFFFAOYSA-N" }, { "column": "MOLECULAR_FORMULA", "keyword": "74-86-2" } ] } } } }, { "type": "object", "properties": { "code": { "type": "integer", "example": 200 }, "data": { "type": "object", "example": [] } } } ] } } } }, "400": { "description": "Validation errors.", "content": { "application/json": { "schema": { "oneOf": [ { "properties": { "status": { "type": "boolean", "example": false }, "code": { "type": "string", "example": "INVALID_API_KEY" }, "errors": { "type": "array", "example": [ "api access key is missing." ] } } } ] } } } } } }, "column-list": { "summary": "Chemical directory all columns list", "description": "This API is used to display column list data.", "tags": [ "Chemical Directory" ], "consumes": [ "application/json" ], "produces": [ "application/json" ], "responses": { "200": { "description": "When columns list data displayed successfully.", "content": { "application/json": { "schema": { "oneOf": [ { "type": "object", "properties": { "code": { "type": "string", "message": "Success" }, "data": { "type": "object", "example": { "columns": [ { "value": "gbrn", "name": "GREEN BOOK REGISTRATION NUMBER (GBRN)" }, { "value": "chemical_name", "name": "CHEMICAL NAME" }, { "value": "field_of_application", "name": "FIELD OF APPLICATION(S)" }, { "value": "indication", "name": "INDICATION" }, { "value": "chemical_structure", "name": "CHEMICAL STRUCTURE" }, { "value": "description", "name": "DESCRIPTION" }, { "value": "iupac", "name": "IUPAC" }, { "value": "cas_rn", "name": "CAS RN" }, { "value": "cas_name", "name": "CAS NAME" }, { "value": "chemical_class", "name": "CHEMICAL CLASS" }, { "value": "substance_origin", "name": "SUBSTANCE ORIGIN" }, { "value": "originator", "name": "ORIGINATOR" }, { "value": "originator_logo", "name": "ORIGINATOR LOGO" }, { "value": "year_of_discovery", "name": "YEAR OF DISCOVERY" }, { "value": "launch_year", "name": "LAUNCH YEAR" }, { "value": "launch_status", "name": "LAUNCH STATUS" } ] } } } }, { "type": "object", "properties": { "code": { "type": "integer", "example": 200 }, "data": { "type": "object", "example": [] } } } ] } } } }, "400": { "description": "Validation errors.", "content": { "application/json": { "schema": { "oneOf": [ { "properties": { "status": { "type": "boolean", "example": false }, "code": { "type": "string", "example": "INVALID_API_KEY" }, "errors": { "type": "array", "example": [ "api access key is missing." ] } } } ] } } } } } }, "search-specific": { "summary": "Chemical directory search by GBRN/TRRN", "description": "This API is used to show result of specific search.", "tags": [ "Chemical Directory" ], "consumes": [ "application/json" ], "produces": [ "application/json" ], "requestBody": { "content": { "application/x-www-form-urlencoded": { "schema": { "type": "object", "required": [ "search_type", "keyword", "page_no" ], "properties": { "search_type": { "type": "string", "enum": [ "GBRN", "TRRN" ], "description": "please select any one type (GBRN, TRRN)", "errorMessage": { "enum": "Search type must be GBRN, TRRN" } }, "keyword": { "type": "string", "description": "Enter keyword.", "example": "99" }, "page_no": { "type": "integer", "description": "Enter page number.", "example": 1 } } } } }, "required": true }, "responses": { "200": { "description": "When specific serch data displayed successfully.", "content": { "application/json": { "schema": { "oneOf": [ { "type": "object", "properties": { "code": { "type": "string", "message": "Success" }, "data": { "type": "object", "example": { "data": { "chem_dir_count": 22, "chem_dir_data": [ { "gbrn": 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Weight: 126.58\nm/z: 126.02 (100.0%), 128.02 (32.0%), 127.03 (7.6%), 129.02 (2.4%)\nElemental Analysis: C, 66.42; H, 5.57; Cl, 28.01\n", "iupac": "(chloromethyl)benzene\n", "cas_rn": "27987-13-9\n\n", "cas_name": "", "chemical_class": "", "substance_origin": "", "originator": "", "originator_logo": "", "year_of_discovery": "", "launch_year": "", "launch_status": "", "year_wise_off_patent_molecule": "", "synonyms_common_name": "", "trade_name_proprietary_name": "", "related_compounds": "", "pubchem_id": "CID 7503 (Benzyl Chloride)\n\n", "ec_no": "", "us_epa_chemical_code": "", "unii": "", "un_number": "", "atc": "", "dsstox_substance_id": "", "other_codes": "", "strain_no": "", "summary_invent_info": "", "compound_patent_1st_disclosure": "", "google_patent_hyper_link": "", "history_development_licencing_commercialisation": "", "non_patent": "", "gcd": "", "summary_phsyi_chem": "", "molecular_formula": "C7H7Cl\n", "molecular_weight": "", "inchi": "", "inchikey": "KCXMKQUNVWSEMD-UHFFFAOYSA-N\n", "smiles_code": "", "canonical_smiles": "ClCC1=CC=CC=C1", "hydrogen_bond_donor_count": "", "hydrogen_bond_acceptor_count": "", "rotatable_bond_count": "", "complexity": "", "cskf": "", "topological_polar_surface_area": "", "monoisotopic_mass": "", "exact_mass": "", "logp_computed": "", "compound_is_canonicalized": "", "formal_charge": "", "heavy_atom_count": "", "defined_atom_stereocenter_count": "", "undefined_atom_stereocenter_count": "", "defined_bond_stereocenter_count": "", "undefined_bond_stereocenter_count": "", "isotope_atom_count": "", "covalently_bonded_unit_count": "", "summary_physicochemical_properties": "", "isomerism": "", "physical_description": "", "polymorphism": "", "melting_point": "", "boiling_point": "", "color_form": "", "decomposition": "", "corrosivity": "", "refractive_index": "", "kovats_retention_index": "", "degradation_point": "", "flashpoint": "", "freezing_point": "", "sublimation": "", "agueous_solubility": "", "solubility_in_organic_solvent": "", "density": "", "bulk_density_specific_gravity": "", "vapour_pressure": "", "logp": "", "stability": "", "ph": "", "dissociation_constants": "", "henrys_law_constant": "", "application_rate": "", "maximum_uv_vis_absorption": "", "surface_tension": "", "commentry": "", "notes": "", "remarks": "", "literature": "", "information_sources": "", "pdf_multiple_pdf": "", "trrn": 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"dummy_2": "27987-13-9", "dummy_3": "153370", "dummy_4": "", "dummy_5": "", "dummy_6": "", "dummy_7": "", "dummy_8": "", "dummy_9": "", "dummy_10": "", "created_at": "2024-04-22T09:52:59.538Z", "id": "6626338cd181724dc7c3bb16" }, { "gbrn": "10018;10061;10076;10083;10101;10114;10120;10127;10133;10150;10152;10155;10168;10170;10176;10183;10192;10201;10203;10213;10217;10225;10259;10273;10278;10280;10288;10290;10304;10311;10313;10315;10321;10323;10327;10369;10373;10374;10376;10385;10391;10421;10444;10453;10458;10508;10512;10519;10534;10553;10572;10605;10619;10687;10725;10726;10727;10768;10794;10795;10797;10815;10870;1093;10969;10976;10977;10983;11095;11107;11140;11412;12207;12362;12396;12536;12554;12724;14128;14357;14388;14733;14993;15744;15848;15863;159;15903;1595;16292;16303;16304;16457;16458;16468;16564;16583;16628;16695;16730;16745;16766;16814;16821;16863;16881;16958;16973;16982;1710;17121;17152;17228;17404;17524;17544;17581;17600;17660;17856;18088;18113;18214;185;1965;2001;2059;2640;2645;268;2751;2975;2981;3026;3320;3899;3911;456;516;517;752;803;857;859;861;862;863;864;873;921;99", "chemical_name": "CID 6101669\n", "field_of_application": "", "indication": "", "chemical_structure": "ChemRobo_PUB_46177_CS.png", "description": "", "iupac": "magnesium bromide ethanide\n", "cas_rn": "6000-67-5\n;6000-67-5\n", "cas_name": "", "chemical_class": "", "substance_origin": "", "originator": "", "originator_logo": "", "year_of_discovery": "", "launch_year": "", "launch_status": "", "year_wise_off_patent_molecule": "", "synonyms_common_name": "1.DTXSID80275976\r\n2.FT-0626349\r\n3.6000-67-5\n", "trade_name_proprietary_name": "", "related_compounds": "", "pubchem_id": "6101669\n", "ec_no": "", "us_epa_chemical_code": "", "unii": "", "un_number": "", "atc": "", "dsstox_substance_id": "", "other_codes": "", "strain_no": "", "summary_invent_info": "", "compound_patent_1st_disclosure": "", "google_patent_hyper_link": "", "history_development_licencing_commercialisation": "", "non_patent": "", "gcd": "", "summary_phsyi_chem": "", "molecular_formula": "C2H5BrMg\n", "molecular_weight": "133.27\n", "inchi": "InChI=1S/C2H5.BrH.Mg/c1-2;;/h1H2,2H3;1H;/q-1;;+2/p-1\n", "inchikey": "FRIJBUGBVQZNTB-UHFFFAOYSA-M\n", 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"dummy_2": "6000-67-5", "dummy_3": "154003", "dummy_4": "", "dummy_5": "", "dummy_6": "", "dummy_7": "", "dummy_8": "", "dummy_9": "", "dummy_10": "", "created_at": "2024-04-22T09:52:59.546Z", "id": "6626338cd181724dc7c3bcf5" } ] } } } } }, { "type": "object", "properties": { "code": { "type": "integer", "example": 200 }, "data": { "type": "object", "example": [] } } } ] } } } }, "400": { "description": "Validation errors.", "content": { "application/json": { "schema": { "oneOf": [ { "properties": { "status": { "type": "boolean", "example": false }, "code": { "type": "string", "example": "INVALID_API_KEY" }, "errors": { "type": "array", "example": [ "api access key is missing." ] } } } ] } } } } } } } }