Chemaxon

Chemaxon Checker API

The Checker API from Chemaxon — 1 operation(s) for checker.

GitHub OpenAPI

Operations 1

POST /rest-v1/checker/ Run multiple checkers #

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-checker-api-openapi.yml

Schemas & Data

📊
JSONSchema
https://artifacts.apis.io/chemaxon/json-schema/chemaxon-checker-response-schema.json
📊
JSONSchema
https://artifacts.apis.io/chemaxon/json-schema/chemaxon-metallocene-checker-response-schema.json

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OpenAPI Specification

chemaxon-checker-api-openapi.yml Raw ↑ 
openapi: 3.2.0
info:
  title: Chemaxon Checker API
  version: 26.1.3
  description: 'Operations tagged Checker across 2 of this provider''s published API definitions: chemaxon-structure-checker-openapi.json, chemaxon-structure-checker-openapi.yml. Each path carries the servers of the definition it was published in.'
servers:
- url: https://jchem-microservices.chemaxon.com/jws-checker-fixer
tags:
- name: Checker
paths:
  /rest-v1/checker/:
    post:
      description: Check multiple checkers on the same molecule at once
      operationId: checkMultipleGeneral
      requestBody:
        content:
          application/json:
            schema:
              $ref: '#/components/schemas/CompositeCheckerRequest'
        required: true
      responses:
        '200':
          content:
            application/json:
              schema:
                type: array
                items:
                  $ref: '#/components/schemas/CheckerResponse'
          description: OK
      summary: Run multiple checkers
      tags:
      - Checker
    servers:
    - url: https://jchem-microservices.chemaxon.com/jws-checker-fixer
components:
  schemas:
    ExplicitHydrogenCheckerResponse:
      properties:
        atomIds:
          type: array
          items:
            type: string
        bondIds:
          type: array
          items:
            type: string
        checkerName:
          type: string
        checkerTriggered:
          type: boolean
        description:
          type: string
        errorType:
          type: string
        implicitizeFlag:
          type: integer
          format: int32
    CheckerFixerStructure:
      description: Represents a structure
      properties:
        format:
          type: string
          description: (Optional) Format of the structure. If not set, a recognizer will try to detect it
          example: smiles
        source:
          type: string
          description: Text representation of the structure
          example: c1ccccc1CC(N)C
        uniqueId:
          type: string
          description: (Optional) The unique ID of the structure
          example: ''
    RgroupCheckerResponse:
      properties:
        atomIds:
          type: array
          items:
            type: string
        bondIds:
          type: array
          items:
            type: string
        checkerName:
          type: string
        checkerTriggered:
          type: boolean
        description:
          type: string
        errorType:
          type: string
        rGroupIds:
          type: array
          items:
            type: string
    SubstructureCheckerResponse:
      properties:
        atomIds:
          type: array
          items:
            type: string
        bondIds:
          type: array
          items:
            type: string
        checkerName:
          type: string
        checkerTriggered:
          type: boolean
        description:
          type: string
        errorType:
          type: string
        structures:
          type: array
          items:
            type: array
            items:
              type: string
    DefaultCheckerResponse:
      properties:
        atomIds:
          type: array
          items:
            type: string
        bondIds:
          type: array
          items:
            type: string
        checkerName:
          type: string
        checkerTriggered:
          type: boolean
        description:
          type: string
        errorType:
          type: string
    SgroupCheckerResponse:
      properties:
        atomIds:
          type: array
          items:
            type: string
        bondIds:
          type: array
          items:
            type: string
        checkerName:
          type: string
        checkerTriggered:
          type: boolean
        description:
          type: string
        errorType:
          type: string
        sgroups:
          type: array
          items:
            type: array
            items:
              type: string
    StructureCheckerFilter:
      properties:
        untriggered:
          type: boolean
          default: false
          description: If true, untriggered checkers will be filtered out from the response
    MetalloceneCheckerResponse:
      properties:
        atomIds:
          type: array
          items:
            type: string
        bondIds:
          type: array
          items:
            type: string
        checkerName:
          type: string
        checkerTriggered:
          type: boolean
        description:
          type: string
        errorType:
          type: string
        fiveMemberedRings:
          type: array
          items:
            type: array
            items:
              type: string
        metalAtoms:
          type: array
          items:
            type: string
    AromaticityCheckerResponse:
      properties:
        aromaticityType:
          type: string
          enum:
          - basic
          - general
          - loose
        atomIds:
          type: array
          items:
            type: string
        bondIds:
          type: array
          items:
            type: string
        checkerName:
          type: string
        checkerTriggered:
          type: boolean
        description:
          type: string
        errorType:
          type: string
    GeneralCheckerSettings:
      properties:
        checkerClass:
          type: string
          description: 'The class that will be used for structure checking.

            If the package name is not specified, it will be assumed to be "chemaxon.checkers".'
          example: MissingAtomMapChecker
        displayName:
          type: string
          description: The identifier of the structure checker
          example: MyStructureChecker
        properties:
          type: object
          additionalProperties:
            type: object
    BondAngleCheckerResponse:
      properties:
        atomIds:
          type: array
          items:
            type: string
        bondIds:
          type: array
          items:
            type: string
        checkerName:
          type: string
        checkerTriggered:
          type: boolean
        description:
          type: string
        errorType:
          type: string
        wrongAngleBonds:
          type: array
          items:
            type: string
    BondLengthCheckerResponse:
      properties:
        atomIds:
          type: array
          items:
            type: string
        bondIds:
          type: array
          items:
            type: string
        checkerName:
          type: string
        checkerTriggered:
          type: boolean
        description:
          type: string
        errorType:
          type: string
        wrongLengthBonds:
          type: array
          items:
            type: string
    CheckerResponse:
      allOf:
      - $ref: '#/components/schemas/DefaultCheckerResponse'
      - $ref: '#/components/schemas/AromaticityCheckerResponse'
      - $ref: '#/components/schemas/AtomQueryPropertyCheckerResponse'
      - $ref: '#/components/schemas/BondAngleCheckerResponse'
      - $ref: '#/components/schemas/BondLengthCheckerResponse'
      - $ref: '#/components/schemas/ExplicitHydrogenCheckerResponse'
      - $ref: '#/components/schemas/MetalloceneCheckerResponse'
      - $ref: '#/components/schemas/RgroupCheckerResponse'
      - $ref: '#/components/schemas/SgroupCheckerResponse'
      - $ref: '#/components/schemas/SubstructureCheckerResponse'
    AtomQueryPropertyCheckerResponse:
      properties:
        atomIds:
          type: array
          items:
            type: string
        bondIds:
          type: array
          items:
            type: string
        checkerName:
          type: string
        checkerTriggered:
          type: boolean
        description:
          type: string
        errorType:
          type: string
        properties:
          type: array
          items:
            type: string
    CompositeCheckerRequest:
      description: Multiple structure checkers can be used on the structure
      properties:
        checkerSettings:
          type: array
          items:
            $ref: '#/components/schemas/GeneralCheckerSettings'
        filter:
          $ref: '#/components/schemas/StructureCheckerFilter'
        structure:
          $ref: '#/components/schemas/CheckerFixerStructure'
x-refined-from:
- chemaxon-structure-checker-openapi.json
- chemaxon-structure-checker-openapi.yml