Differences

This shows you the differences between two versions of the page.

--- api [2020/04/08 18:57] – flack
+++ api [2020/07/06 18:49] – [Multiple queries exact search] flack
@@ Line 1: / Line 1: @@
 API base url: https://mcule.com/api/v1/
-Examples are demonstrated with [[https://github.com/jkbrzt/httpie|HTTPie]].
+Examples are demonstrated with [[https://httpie.org|HTTPie]].
+Only the most important request/response headers are shown in the examples below.
 ====== Response status codes ======
@@ Line 385: / Line 387: @@
     "results": [
         {
             "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/"
         },
         {
             "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/"
         },
         {
             "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,
-            "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/"
         }
@@ Line 411: / Line 425: @@
 }
 </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 =====
@@ Line 451: / Line 467: @@
         {
             "availability": {
                 "availability_type": "in stock",
-                "confirmed_amount": 242,
+                "confirmed_amount": 100,
                 "confirmed_amount_unit": "mg"
             },
             "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/"
         },
         {
             "availability": {
-                "availability_type": "in stock",
+                "availability_type": "potentially purchasable",
                 "confirmed_amount": null,
                 "confirmed_amount_unit": "mg"
             },
             "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/"
         },
         {
             "availability": {
                 "availability_type": "in stock",
-                "confirmed_amount": null,
+                "confirmed_amount": 50,
                 "confirmed_amount_unit": "mg"
             },
             "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_type": "potentially purchasable",
                 "confirmed_amount": null,
                 "confirmed_amount_unit": "mg"
             },
             "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/"
         }
     ]
 }
 </code>