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OPERA
QSAR Standardization Prediction Tautomers
  1. Workflow
    Standardization workflow for QSAR-ready chemical structures pretreatment.
    QSAR OPERA Standardization
    +2
    Performs required structure standardization tasks (related to salts/solvents, tautomers/mesomers, mixtures, inorganics, metals, a…
    kmansouri > Public > QSAR-ready_2.5.8_knime_4.1
    0
    kmansouri
  2. Workflow
    Standardization workflow for Mass Spectrometry chemical structures pretreatment.
    QSAR OPERA Standardization
    +2
    Performs required structure standardization tasks (related to salts/solvents, tautomers/mesomers, mixtures, inorganics, metals, a…
    kmansouri > Public > MS-ready_2.5.8
    0
    kmansouri
  3. Workflow
    Standardization workflow for QSAR-ready chemical structures pretreatment.
    QSAR OPERA Standardization
    +2
    Performs required structure standardization tasks (related to salts/solvents, tautomers/mesomers, mixtures, inorganics, metals, a…
    kmansouri > Public > MS-ready_2.5.8-knime_4.1
    0
    kmansouri
  4. Workflow
    Standardization workflow for QSAR-ready chemical structures pretreatment.
    QSAR OPERA Standardization
    +2
    Performs required structure standardization tasks (related to salts/solvents, tautomers/mesomers, mixtures, inorganics, metals, a…
    kmansouri > Public > QSAR-ready_2.5.8
    0
    kmansouri