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

--- api [2022/08/24 15:50] – flack
+++ api [2023/05/23 18:28] – [Similarity search] flack
@@ Line 48: / Line 48: @@
     "results": [
         {
-            "description": "All purchasable, in stock & virtual compounds",
+            "id": 1,
-            "entry_count": 35772718,
+            "name": "Mcule Full",
+            "description": "Purchasable Mcule supplier & ULTIMATE catalogs",
+            "entry_count": 40240579,
+            "last_updated": "2023-01-21",
             "files": [
                 {
-                    "download_url": "https://mcule.s3.amazonaws.com/database/mcule_purchasable_full_170918.sdf.gz",
+                    "size_mb": 9337,
                     "file_type": "sdf.gz",
                     "file_type_display": "2D SDF (sdf.gz)",
-                    "size_mb": 5762
+                    "download_url": "https://mcule.s3.amazonaws.com/database/mcule_purchasable_full_230121.sdf.gz"
                 },
                 {
-                    "download_url": "https://mcule.s3.amazonaws.com/database/mcule_purchasable_full_170918.smiles.gz",
+                    "size_mb": 513,
-                    "file_type": "smiles.gz",
+                    "file_type": "smi.gz",
                     "file_type_display": "SMILES (smi.gz)",
-                    "size_mb": 462
+                    "download_url": "https://mcule.s3.amazonaws.com/database/mcule_purchasable_full_230121.smi.gz"
                 }
             ],
-            "last_updated": "2017-09-18",
+            "public": true,
-            "name": "Mcule Purchasable (full)",
+            "group": "default"
-            "public": true
         },
         {
-            "description": "All purchasable, in stock compounds",
+            "id": 2,
-            "entry_count": 5648837,
+            "name": "Mcule In Stock",
+            "description": "Purchasable Mcule supplier in stock catalogs",
+            "entry_count": 5790697,
+            "last_updated": "2023-01-20",
             "files": [
                 {
-                    "download_url": "https://mcule.s3.amazonaws.com/database/mcule_purchasable_in_stock_170918.sdf.gz",
+                    "size_mb": 1327,
                     "file_type": "sdf.gz",
                     "file_type_display": "2D SDF (sdf.gz)",
-                    "size_mb": 1311
+                    "download_url": "https://mcule.s3.amazonaws.com/database/mcule_purchasable_in_stock_230120.sdf.gz"
                 },
                 {
-                    "download_url": "https://mcule.s3.amazonaws.com/database/mcule_purchasable_in_stock_170918.smiles.gz",
+                    "size_mb": 85,
-                    "file_type": "smiles.gz",
+                    "file_type": "smi.gz",
                     "file_type_display": "SMILES (smi.gz)",
-                    "size_mb": 84
+                    "download_url": "https://mcule.s3.amazonaws.com/database/mcule_purchasable_in_stock_230120.smi.gz"
                 }
             ],
-            "last_updated": "2017-09-18",
+            "public": true,
-            "name": "Mcule Purchasable (in stock)",
+            "group": "default"
-            "public": true
         }
     ]
@@ Line 841: / Line 845: @@
 </code>
-The **threshold** field accepts values between 0.7 and 1.0, the default is 0.9.
+Mandatory fields:
+    * **query**: string, accepted identifiers: mcule ID, SMILES.
+Optional fields:
-The **limit** field accepts values between 1 and 1000, the default is 100.
+    * **threshold**: float, accepted values between 0.7 and 1.0, default: 0.9
+    * **limit**: integer, accepted values between 1 and 1000, default: 100
+    * **collection**: string, accepted values: "full", "in_stock", default: "full". If you specify "in_stock" the search will be performed on the Mcule Purchasable (In Stock) collection which means that Virtual /  Potentially purchasable (60-80%) compounds will be excluded from the hits.