Differences

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

--- api [2022/02/23 18:23] – [InChIKey lookup] flack
+++ api [2023/06/03 07:19] (current) – [Quote Request API] 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, similarity threshold, 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.
@@ Line 909: / Line 919: @@
 </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, 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.
@@ Line 1057: / Line 1074: @@
   * **amount**: Preferred amount per molecule (mg). (default: 1)
   * **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.
   * **extra_amount**: In case of solution based amount calculation the preferred extra amount (in mg) can be specified here.
@@ Line 1066: / Line 1083: @@
   * **higher_amounts**: Set to true if you would like to get a quote for the compounds in the largest possible quantity in case they do not cost more than the specified amount. (default: false)
   * **item_filters**: Per query item filters. Currently it supports only supplier filtering. See example below.
-  * **scheme**: If you have access to predefined quote request schemes, you can specify here which one you want to use. A quote query scheme is essentially a template that contains predefined quote query parameters, or even include private parameters that affect quote generation in various ways (e.g.: discounts, predefined custom prices). These parameters can be customized for your use case. The scheme might already contain mandatory fields like delivery_country. In this case you don't have to specify them again, they will be applied from the scheme. Any explicitly specified public parameter during the request will override the one that comes from the specified scheme.
+  * **scheme**: If you have access to predefined / pre-negotiated quote request schemes, you can specify here which one you want to use. You have to send the ID of the scheme which will be provided to you after negotiation. A quote query scheme is essentially a template that contains predefined quote query parameters, or even include private parameters that affect quote generation in various ways (e.g.: discounts, predefined custom prices). These parameters can be customized for your use case. The scheme might already contain mandatory fields like delivery_country. In this case you don't have to specify them again, they will be applied from the scheme. Any explicitly specified public parameter during the request will override the one that comes from the specified scheme.
 The **amount** or target concentration-volume pair (**target_volume** and **target_cc**) need to be specified.
@@ Line 1903: / Line 1920: @@
 }
 </code>
+== Example response: ===
+<code>
+HTTP/1.0 201 CREATED
+Allow: POST, OPTIONS
+Content-Type: application/json
+{
+    "billing_address": "",
+    "billing_city": "",
+    "billing_company_name": "",
+    "billing_country": "",
+    "billing_email": "",
+    "billing_first_name": "",
+    "billing_last_name": "",
+    "billing_phone": "",
+    "billing_post_code": "",
+    "billing_same": true,
+    "billing_state": "",
+    "billing_vat": "",
+    "created": "2022-04-29T17:02:09.257359",
+    "id": 3691,
+    "notes": "",
+    "po_file_filename": "",
+    "po_number": "",
+    "po_option": 20,
+    "po_option_display": "Order without PO",
+    "shipping_address": "",
+    "shipping_city": "",
+    "shipping_company_name": "",
+    "shipping_country": "US",
+    "shipping_email": "",
+    "shipping_first_name": "John",
+    "shipping_last_name": "Doe",
+    "shipping_phone": "",
+    "shipping_post_code": "",
+    "shipping_state": "",
+    "updated": "2022-04-29T17:02:09.257373"
+}
+</code>
 Mandatory fields: