---
ontology: EDAM (1.16)
topic:
  - Cheminformatics
scopes:
  - name: summary
    function:
      - Visualisation
      - Isotopic distributions calculation
      - Comparison
      - Conversion
    input:
      - data: Data
        formats:
          - Molfile
          - SMILES
          - SDF
          - XYZ
    output:
      - data: Data
        formats:
          - SDF
          - Molfile
          - SDF
          - XYZ
          - InChI
          - InChIKey
      - data: QSAR descriptor
