RSC

opencollection: 1.0.0
info:
  name: RSC ChemSpider Compounds API
  version: '1'
items:
- info:
    name: Filter
    type: folder
  items:
  - info:
      name: Filter Compounds By Name
      type: http
    http:
      method: POST
      url: https://api.rsc.org/compounds/v1/filter/name
      body:
        type: json
        data: '{}'
      auth:
        type: apikey
        key: apikey
        value: '{{apikey}}'
        placement: header
    docs: Submit a name query to search for chemical compounds matching the specified name. Returns a query ID that can be
      used to poll for results using the filter status and results endpoints.
  - info:
      name: Filter Compounds By SMILES
      type: http
    http:
      method: POST
      url: https://api.rsc.org/compounds/v1/filter/smiles
      body:
        type: json
        data: '{}'
      auth:
        type: apikey
        key: apikey
        value: '{{apikey}}'
        placement: header
    docs: Submit a SMILES string to find matching chemical compounds. Returns a query ID for polling results.
  - info:
      name: Filter Compounds By InChI
      type: http
    http:
      method: POST
      url: https://api.rsc.org/compounds/v1/filter/inchi
      body:
        type: json
        data: '{}'
      auth:
        type: apikey
        key: apikey
        value: '{{apikey}}'
        placement: header
    docs: Submit an InChI string to find matching chemical compounds. Returns a query ID for polling results.
  - info:
      name: Filter Compounds By InChIKey
      type: http
    http:
      method: POST
      url: https://api.rsc.org/compounds/v1/filter/inchikey
      body:
        type: json
        data: '{}'
      auth:
        type: apikey
        key: apikey
        value: '{{apikey}}'
        placement: header
    docs: Submit an InChIKey to find the matching chemical compound. Returns a query ID for polling results.
  - info:
      name: Filter Compounds By Formula
      type: http
    http:
      method: POST
      url: https://api.rsc.org/compounds/v1/filter/formula
      body:
        type: json
        data: '{}'
      auth:
        type: apikey
        key: apikey
        value: '{{apikey}}'
        placement: header
    docs: Search for compounds matching a given molecular formula. Optionally restrict to specific data sources.
  - info:
      name: Filter Compounds By Mass
      type: http
    http:
      method: POST
      url: https://api.rsc.org/compounds/v1/filter/mass
      body:
        type: json
        data: '{}'
      auth:
        type: apikey
        key: apikey
        value: '{{apikey}}'
        placement: header
    docs: Search for compounds within a mass range. The mass and mass_range parameters define the target mass and acceptable
      deviation.
  - info:
      name: Get Filter Query Status
      type: http
    http:
      method: GET
      url: https://api.rsc.org/compounds/v1/filter/:queryId/status
      params:
      - name: queryId
        value: ''
        type: path
        description: The query ID returned by a filter endpoint
      auth:
        type: apikey
        key: apikey
        value: '{{apikey}}'
        placement: header
    docs: Poll the status of a previously submitted filter query using its query ID. Returns the current status, result count,
      and any message.
  - info:
      name: Get Filter Query Results
      type: http
    http:
      method: GET
      url: https://api.rsc.org/compounds/v1/filter/:queryId/results
      params:
      - name: queryId
        value: ''
        type: path
        description: The query ID returned by a filter endpoint
      - name: start
        value: ''
        type: query
        description: Zero-based index of first result to return
      - name: count
        value: ''
        type: query
        description: Number of results to return
      auth:
        type: apikey
        key: apikey
        value: '{{apikey}}'
        placement: header
    docs: Retrieve the record IDs for a completed filter query. Supports pagination via start and count parameters.
- info:
    name: Records
    type: folder
  items:
  - info:
      name: Get Record Details
      type: http
    http:
      method: GET
      url: https://api.rsc.org/compounds/v1/records/:recordId/details
      params:
      - name: recordId
        value: ''
        type: path
        description: The ChemSpider record ID
      - name: fields
        value: ''
        type: query
        description: Comma-separated list of fields to return (e.g., SMILES,Formula,CommonName,MolecularWeight)
      auth:
        type: apikey
        key: apikey
        value: '{{apikey}}'
        placement: header
    docs: Retrieve detailed information for a specific compound record by its record ID. Returns fields including SMILES,
      Formula, mass values, CommonName, reference counts, and 2D/3D mol representations.
  - info:
      name: Get Records Batch Details
      type: http
    http:
      method: POST
      url: https://api.rsc.org/compounds/v1/records/batch
      body:
        type: json
        data: '{}'
      auth:
        type: apikey
        key: apikey
        value: '{{apikey}}'
        placement: header
    docs: Retrieve detailed information for multiple compound records in a single request. Accepts up to 100 record IDs per
      request.
  - info:
      name: Get External References
      type: http
    http:
      method: GET
      url: https://api.rsc.org/compounds/v1/records/:recordId/externalreferences
      params:
      - name: recordId
        value: ''
        type: path
        description: The ChemSpider record ID
      - name: dataSources
        value: ''
        type: query
        description: Comma-separated list of data source names to filter by
      auth:
        type: apikey
        key: apikey
        value: '{{apikey}}'
        placement: header
    docs: Retrieve external database references for a compound record. Optionally filter by data source names.
  - info:
      name: Get Compound Image
      type: http
    http:
      method: GET
      url: https://api.rsc.org/compounds/v1/records/:recordId/image
      params:
      - name: recordId
        value: ''
        type: path
        description: The ChemSpider record ID
      auth:
        type: apikey
        key: apikey
        value: '{{apikey}}'
        placement: header
    docs: Retrieve the 2D structural image for a compound record. Returns the image as base64-encoded PNG data.
  - info:
      name: Get Compound MOL File
      type: http
    http:
      method: GET
      url: https://api.rsc.org/compounds/v1/records/:recordId/mol
      params:
      - name: recordId
        value: ''
        type: path
        description: The ChemSpider record ID
      auth:
        type: apikey
        key: apikey
        value: '{{apikey}}'
        placement: header
    docs: Retrieve the MOL file for a compound record. Returns the MOL file content as a string.
- info:
    name: Lookups
    type: folder
  items:
  - info:
      name: Get Available Data Sources
      type: http
    http:
      method: GET
      url: https://api.rsc.org/compounds/v1/lookups/datasources
      auth:
        type: apikey
        key: apikey
        value: '{{apikey}}'
        placement: header
    docs: Retrieve the list of data sources available in ChemSpider. Use these names when filtering compound searches by data
      source.
- info:
    name: Tools
    type: folder
  items:
  - info:
      name: Convert Chemical Format
      type: http
    http:
      method: POST
      url: https://api.rsc.org/compounds/v1/tools/convert
      body:
        type: json
        data: '{}'
      auth:
        type: apikey
        key: apikey
        value: '{{apikey}}'
        placement: header
    docs: 'Convert a chemical identifier from one format to another. Supported input/output formats include SMILES, InChI,
      InChIKey, and Mol. Valid conversion pairs include: InChI to InChIKey, InChI to Mol, InChI to SMILES, InChIKey to InChI,
      InChIKey to Mol, Mol to InChI, Mol to InChIKey, and SMILES to InChI.'
  - info:
      name: Validate InChIKey
      type: http
    http:
      method: POST
      url: https://api.rsc.org/compounds/v1/tools/validate/inchikey
      body:
        type: json
        data: '{}'
      auth:
        type: apikey
        key: apikey
        value: '{{apikey}}'
        placement: header
    docs: Validate whether a given string is a correctly formed InChIKey. Returns a boolean indicating validity.
bundled: true