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api [2020/04/22 10:01] – flackapi [2020/07/06 18:50] – [Multiple queries exact search with availability] flack
Line 387: Line 387:
     "results": [     "results": [
         {         {
-            "input_index": 1,  +            "input_index": 1, 
-            "mcule_id": "MCULE-9380369173",  +            "matching_level": 40, 
-            "smiles": "COC(C1SC(C=CC2SC(C3=NC=CC=C3)=NC=2)=NC=1)=O", +            "matching_level_display": "Atom graph", 
 +            "mcule_id": "MCULE-9380369173", 
 +            "query": "COC(C1SC(C=CC2SC(C3=NC=CC=C3)=NC=2)=NC=1)=O", 
 +            "smiles": "COC(C1SC(C=CC2SC(C3=NC=CC=C3)=NC=2)=NC=1)=O",
             "url": "https://mcule.com/MCULE-9380369173/"             "url": "https://mcule.com/MCULE-9380369173/"
-        }, +        },
         {         {
-            "input_index": 2,  +            "input_index": 2, 
-            "mcule_id": "MCULE-4016901520",  +            "matching_level": 20, 
-            "smiles": "CC1=C(C(N2CC3C(CCC3N)C2)=O)SC(CC2=CC=CC=C2)=N1", +            "matching_level_display": "Sp3 configuration", 
 +            "mcule_id": "MCULE-4016901520", 
 +            "query": "CC1=C(C(N2CC3C(CCC3N)C2)=O)SC(CC2=CC=CC=C2)=N1", 
 +            "smiles": "CC1=C(C(N2CC3C(CCC3N)C2)=O)SC(CC2=CC=CC=C2)=N1",
             "url": "https://mcule.com/MCULE-4016901520/"             "url": "https://mcule.com/MCULE-4016901520/"
-        }, +        },
         {         {
-            "input_index": 3,  +            "input_index": 3, 
-            "mcule_id": "MCULE-7428195288",  +            "matching_level": 40, 
-            "smiles": "C1([C@H](C(C)C)NC(CCCC[C@H]2CCSS2)=O)NC2=C(C=CC=C2)N=1",  +            "matching_level_display": "Atom graph", 
-            "url": "https://mcule.com/MCULE-7428195288/" +            "mcule_id": "MCULE-1039596211", 
-        }, +            "query": "C1([C@H](C(C)C)NC(CCCCC2CCSS2)=O)NC2=C(C=CC=C2)N=1", 
 +            "smiles": "C1(C(C(C)C)NC(CCCCC2CCSS2)=O)NC2=C(C=CC=C2)N=1", 
 +            "url": "https://mcule.com/MCULE-1039596211/" 
 +        },
         {         {
-            "input_index": 5,  +            "input_index": 5, 
-            "mcule_id": "MCULE-1259420189",  +            "matching_level": 40, 
-            "smiles": "CCCCC1=CC=C(CC(N(CC2CCN(C)CC2)C)=O)C=C1", +            "matching_level_display": "Atom graph", 
 +            "mcule_id": "MCULE-1259420189", 
 +            "query": "CCCCC1=CC=C(CC(N(CC2CCN(C)CC2)C)=O)C=C1", 
 +            "smiles": "CCCCC1=CC=C(CC(N(CC2CCN(C)CC2)C)=O)C=C1",
             "url": "https://mcule.com/MCULE-1259420189/"             "url": "https://mcule.com/MCULE-1259420189/"
         }         }
Line 413: Line 425:
 } }
 </code> </code>
 +
 +Please note that in case the queries are InChIKeys, **matching_level** and **matching_level_display** will always be **null** in the response. 
  
 ===== Multiple queries exact search with availability ===== ===== Multiple queries exact search with availability =====
Line 453: Line 467:
         {         {
             "availability": {             "availability": {
-                "availability_type": "in stock",  +                "availability_type": "in stock", 
-                "confirmed_amount": 242, +                "confirmed_amount": 100,
                 "confirmed_amount_unit": "mg"                 "confirmed_amount_unit": "mg"
-            },  +            }, 
-            "input_index": 1,  +            "input_index": 1, 
-            "mcule_id": "MCULE-9380369173",  +            "matching_level": 40, 
-            "smiles": "COC(C1SC(C=CC2SC(C3=NC=CC=C3)=NC=2)=NC=1)=O", +            "matching_level_display": "Atom graph", 
 +            "mcule_id": "MCULE-9380369173", 
 +            "query": "COC(C1SC(C=CC2SC(C3=NC=CC=C3)=NC=2)=NC=1)=O", 
 +            "smiles": "COC(C1SC(C=CC2SC(C3=NC=CC=C3)=NC=2)=NC=1)=O",
             "url": "https://mcule.com/MCULE-9380369173/"             "url": "https://mcule.com/MCULE-9380369173/"
-        }, +        },
         {         {
             "availability": {             "availability": {
-                "availability_type": "in stock",  +                "availability_type": "potentially purchasable", 
-                "confirmed_amount": null, +                "confirmed_amount": null,
                 "confirmed_amount_unit": "mg"                 "confirmed_amount_unit": "mg"
-            },  +            }, 
-            "input_index": 2,  +            "input_index": 2, 
-            "mcule_id": "MCULE-4016901520",  +            "matching_level": 20, 
-            "smiles": "CC1=C(C(N2CC3C(CCC3N)C2)=O)SC(CC2=CC=CC=C2)=N1", +            "matching_level_display": "Sp3 configuration", 
 +            "mcule_id": "MCULE-4016901520", 
 +            "query": "CC1=C(C(N2CC3C(CCC3N)C2)=O)SC(CC2=CC=CC=C2)=N1", 
 +            "smiles": "CC1=C(C(N2CC3C(CCC3N)C2)=O)SC(CC2=CC=CC=C2)=N1",
             "url": "https://mcule.com/MCULE-4016901520/"             "url": "https://mcule.com/MCULE-4016901520/"
-        }, +        },
         {         {
             "availability": {             "availability": {
-                "availability_type": "in stock",  +                "availability_type": "in stock", 
-                "confirmed_amount": null, +                "confirmed_amount": 50,
                 "confirmed_amount_unit": "mg"                 "confirmed_amount_unit": "mg"
-            },  +            }, 
-            "input_index": 3,  +            "input_index": 3, 
-            "mcule_id": "MCULE-7428195288",  +            "matching_level": 40, 
-            "smiles": "C1([C@H](C(C)C)NC(CCCC[C@H]2CCSS2)=O)NC2=C(C=CC=C2)N=1",  +            "matching_level_display": "Atom graph", 
-            "url": "https://mcule.com/MCULE-7428195288/" +            "mcule_id": "MCULE-1039596211", 
-        }, +            "query": "C1([C@H](C(C)C)NC(CCCCC2CCSS2)=O)NC2=C(C=CC=C2)N=1", 
 +            "smiles": "C1(C(C(C)C)NC(CCCCC2CCSS2)=O)NC2=C(C=CC=C2)N=1", 
 +            "url": "https://mcule.com/MCULE-1039596211/" 
 +        },
         {         {
             "availability": {             "availability": {
-                "availability_type": "potentially purchasable",  +                "availability_type": "potentially purchasable", 
-                "confirmed_amount": null, +                "confirmed_amount": null,
                 "confirmed_amount_unit": "mg"                 "confirmed_amount_unit": "mg"
-            },  +            }, 
-            "input_index": 5,  +            "input_index": 5, 
-            "mcule_id": "MCULE-1259420189",  +            "matching_level": 40, 
-            "smiles": "CCCCC1=CC=C(CC(N(CC2CCN(C)CC2)C)=O)C=C1", +            "matching_level_display": "Atom graph", 
 +            "mcule_id": "MCULE-1259420189", 
 +            "query": "CCCCC1=CC=C(CC(N(CC2CCN(C)CC2)C)=O)C=C1", 
 +            "smiles": "CCCCC1=CC=C(CC(N(CC2CCN(C)CC2)C)=O)C=C1",
             "url": "https://mcule.com/MCULE-1259420189/"             "url": "https://mcule.com/MCULE-1259420189/"
         }         }
     ]     ]
-} +}
 </code> </code>
 +
 +Please note that in case the queries are InChIKeys, **matching_level** and **matching_level_display** will always be **null** in the response. 
  
  
api.txt · Last modified: 2024/05/10 08:12 by bkovats