Description | HTTP Request | Content‑Type | Response‑Type |
---|---|---|---|
1. Reaction library | |||
1.1. List all the stored reactions | GET rest-v0/util/reaction/library |
application/json | |
1.1.1 List reactions from the given source | GET rest-v0/util/reaction/library/{source} |
application/json | |
1.2. Get details of a reaction | GET
rest-v0/util/reaction/library/{source}/{id} |
application/json | |
1.3. Get information about the available reaction types | GET rest-v0/util/reaction/library/hierarchy |
application/json | |
1.4. Manipulation of the reaction library | POST rest-v0/util/reaction/library/operation |
application/json | application/json |
2. Reactor | |||
2.1. Run reaction enumeration | POST rest-v0/util/reaction/enumerate |
application/json | |
2.2. Request reaction enumeration preview | POST rest-v0/util/reaction/preview |
application/json | |
3. Utilities | |||
3.1. Analyze reaction | POST rest-v0/util/calculate/reactionAnalysis |
application/json |
This request provides basic information about the stored reactions.
Search options:
Option | Type | Description |
---|---|---|
name | string | The reaction name should fit to this fragment. |
tag | string | Any mechanism or functional group should fit to this fragment. |
This request provides basic information about the stored reactions.
This request provides detailed information about the requested reaction.
This request provides detailed information about the requested reaction.
The response shows the base information of the saved schema.
The response shows the base information of the edited schema.
The response provides data about the result table.
The enumeration request json can contain the following data:
Option | Type | Description |
---|---|---|
reaction | ||
id | integer | The reaction id in the stored library. |
source | String | The reaction source in the stored library. |
OR | ||
structure | String | A reaction schema structure in any molecule format. |
format | String | The format of the sent structure. |
inputConfig | ||
dbConfigName | String | Database name. |
tableName | String | Table name. |
OR | ||
structures | String | A reaction input list in any molecule format. |
format | String | The format of the sent structure. |
outputConfig | ||
dbConfigName | String | Database name. |
tableName | String | Table name. |
The response contains an array of image links about an enumeration sample. The reaction and inputConfig fields can contain the same optional data as the enumeration request.
The response provides details about the reaction's reactants, agents, products.