Chemaxon

Chemaxon Store and search molecules and non chemical data API

Use this controller to manage molecule collections that also has non chemical data assigned to structures. Create (or delete) a collection (a.k.a. ''table''). Insert / delete / update chemical structures and correspondind data in it and search them by using other structures.

GitHub OpenAPI

Operations 28

POST /rest-v1/db/additional/createTable/{tableName} Creates a new table to store molecules and additional data #
DELETE /rest-v1/db/additional/dropTable/{tableName} Drops a table #
GET /rest-v1/db/additional/maxId/{tableName} Returns the max id in the table #
GET /rest-v1/db/additional/structureCount/{tableName} Structure count #
GET /rest-v1/db/additional/tables Lists the existing table names and the molecule types #
POST /rest-v1/db/additional/upload Inserts a list of molecules from a file #
POST /rest-v1/db/additional/{tableName}/batchDelete Deletes molecules and additional data #
POST /rest-v1/db/additional/{tableName}/batchInsert Inserts a list of molecules and additional data to a set #
GET /rest-v1/db/additional/{tableName}/duplicate Searches for duplicate hits and additional data in table #
POST /rest-v1/db/additional/{tableName}/duplicate Searches for duplicate hits and additional data in table #
POST /rest-v1/db/additional/{tableName}/exportToFile Exports all data in the table to a Json file or a Zip compressed Json file on… #
GET /rest-v1/db/additional/{tableName}/fullfragment Searches for full fragment hits and additional data in table #
POST /rest-v1/db/additional/{tableName}/fullfragment Searches for full fragment hits and additional data in table #
POST /rest-v1/db/additional/{tableName}/ids/duplicate Searches for duplicate hit ids in table #
POST /rest-v1/db/additional/{tableName}/ids/fullfragment Searches for full fragment hit ids in table #
POST /rest-v1/db/additional/{tableName}/ids/similarity Searches for similarity hit ids in table #
POST /rest-v1/db/additional/{tableName}/ids/substructure Searches for substructure hit ids in table #
POST /rest-v1/db/additional/{tableName}/importFromFile/{fileName} Imports all data from the file, to the table. #
POST /rest-v1/db/additional/{tableName}/loadCache Loads cache of chemical structures #
GET /rest-v1/db/additional/{tableName}/similarity Searches for similarity hits and additional data in table #
POST /rest-v1/db/additional/{tableName}/similarity Searches for similarity hits and additional data in table #
GET /rest-v1/db/additional/{tableName}/substructure Searches for substructure hits and additional data in table #
POST /rest-v1/db/additional/{tableName}/substructure Searches for substructure hits and additional data in table #
POST /rest-v1/db/additional/{tableName}/substructureHitCountEstimate Estimate substructure hit count #
DELETE /rest-v1/db/additional/{tableName}/{id} Deletes molecule and additional data #
GET /rest-v1/db/additional/{tableName}/{id} Retrieves a previously inserted data #
POST /rest-v1/db/additional/{tableName}/{id} Inserts a molecule and additional data to a set #
GET /rest-v1/db/additional/{tableName}/{id}/molecule Retrieves a previously inserted molecule string #

Documentation

📖
Documentation
https://docs.chemaxon.com/latest/jchem-microservices_developer-guide.html
📖
Documentation
https://docs.chemaxon.com/latest/compound-registration_api-documentation.html

Specifications

⚙
OpenAPI
https://artifacts.apis.io/chemaxon/openapi/chemaxon-store-and-search-molecules-and-non-chemical-data-api-openapi.yml

Schemas & Data

📊
JSONSchema
https://artifacts.apis.io/chemaxon/json-schema/chemaxon-insert-molecules-response-schema.json
📊
JSONSchema
https://artifacts.apis.io/chemaxon/json-schema/chemaxon-substructure-combined-search-request-schema.json
📊
JSONSchema
https://artifacts.apis.io/chemaxon/json-schema/chemaxon-substructure-search-request-schema.json
📊
JSONSchema
https://artifacts.apis.io/chemaxon/json-schema/chemaxon-full-fragment-combined-search-request-schema.json
📊
JSONSchema
https://artifacts.apis.io/chemaxon/json-schema/chemaxon-full-fragment-search-request-schema.json

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OpenAPI Specification

chemaxon-store-and-search-molecules-and-non-chemical-data-api-openapi.yml Raw ↑ 
openapi: 3.2.0
info:
  title: Chemaxon Store and search molecules and non chemical data…
  version: 26.1.3
  description: 'Operations tagged Store and search molecules and non chemical data across 2 of this provider''s published API definitions: chemaxon-database-search-openapi.json, chemaxon-database-search-openapi.yml. Each path carries the servers of the definition it was published in.'
servers:
- url: https://jchem-microservices.chemaxon.com/jwsdb
tags:


# --- truncated at 32 KB (50 KB total) ---
# Full source: https://artifacts.apis.io/chemaxon/openapi/chemaxon-store-and-search-molecules-and-non-chemical-data-api-openapi.yml