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api [2022/08/24 12:46] flackapi [2023/06/03 07:19] (current) – [Quote Request API] flack
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 API base url: https://mcule.com/api/v1/ API base url: https://mcule.com/api/v1/
  
-Examples are demonstrated with_ [[https://httpie.org|HTTPie]].+Examples are demonstrated with [[https://httpie.org|HTTPie]].
  
 Only the most important request/response headers are shown in the examples below. Only the most important request/response headers are shown in the examples below.
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     "results": [     "results": [
         {         {
-            "description": "All purchasablein 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": [             "files": [
                 {                 {
-                    "download_url": "https://mcule.s3.amazonaws.com/database/mcule_purchasable_full_170918.sdf.gz",  +                    "size_mb": 9337
-                    "file_type": "sdf.gz",  +                    "file_type": "sdf.gz", 
-                    "file_type_display": "2D SDF (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)",  +                    "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": [             "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": "sdf.gz", 
-                    "file_type_display": "2D SDF (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)",  +                    "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> </code>
  
-The **threshold** field accepts values between 0.7 and 1.0the default is 0.9.+Mandatory fields: 
 + 
 +    * **query**: stringaccepted identifiers: mcule ID, SMILES. 
 + 
 +Optional fields:
  
-The **limit** field accepts values between 1 and 1000, the default is 100.+    * **threshold**: float, similarity threshold, accepted values between 0.7 and 1.0, default: 0.9 
 +    * **limit**: integer, accepted values between 1 and 1000, default100 
 +    * **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.
  
  
Line 909: Line 919:
 </code> </code>
  
-The **limit** field accepts values between 1 and 1000, the default is 100.+Mandatory fields: 
 + 
 +    * **query**: string, accepted identifiers: mcule ID, SMILES. 
 + 
 +Optional fields: 
 + 
 +    * **limit**: integer, accepted values between 1 and 1000, default100 
 +    * **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.
  
  
Line 1057: Line 1074:
   * **amount**: Preferred amount per molecule (mg). (default: 1)   * **amount**: Preferred amount per molecule (mg). (default: 1)
   * **min_amount**: Acceptable minimum amount (mg). (default: null)   * **min_amount**: Acceptable minimum amount (mg). (default: null)
-  * **target_volume**: The target volume (in ml), in case of solution based amount.+  * **target_volume**: The target volume (in µL), in case of solution based amount.
   * **target_cc**: Target concentration (mM), in case of solution based amount.   * **target_cc**: Target concentration (mM), in case of solution based amount.
   * **extra_amount**: In case of solution based amount calculation the preferred extra amount (in mg) can be specified here.   * **extra_amount**: In case of solution based amount calculation the preferred extra amount (in mg) can be specified here.
api.1661345166.txt.gz · Last modified: 2022/08/24 12:46 by flack