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TeachOpenCADD
Molecular filtering
Lipinski's rule of five ADME ChEMBL query Compound clustering Drug lead-likeness Machine learning Maximum common substructure PDB query
  1. Workflow
    W2_ADME_filter
    Lipinski's rule of five Drug lead-likeness Molecular filtering
    +2
    Not all compounds are suitable starting points for drug development due to undesirable pharmacokinetic properties, which for inst…
    tymsk3891 > Public > TeachOpenCADD_reconfigured_with_KNIME_4.5 > Workflow > W2_ADME_filter
    0
    tymsk3891
  2. Workflow
    TeachOpenCADD_reconfigured_with_KNIME_4.5
    ChEMBL query PDB query Molecular filtering
    +7
    What is this? This is TeachOpenCADD KNIME (v1.0.3) reconfigured with KNIME 4.5. - Replaced deprecated nodes. - Adopted Workflow R…
    tymsk3891 > Public > TeachOpenCADD_reconfigured_with_KNIME_4.5 > TeachOpenCADD_reconfigured_with_KNIME_4.5
    0
    tymsk3891