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LigPrep Schrodinger
  1. Workflow
    Highlight substructure
    LiveDesign QikProp LigPrep
    +1
    Highlight the substructure in the input structures. Only the substructure query is reported if it isn't found. [21.4.1]
    schroedinger > LiveDesign_models > Structure operation > Highlight substructure
    0
    schroedinger
  2. Workflow
    ADME - to be run in LiveDesign
    LiveDesign QikProp LigPrep
    Calculates ADME properties with QikProp. The workflow is uploaded as Computational model to LiveDesign.
    schroedinger > LiveDesign_models > _Support_materials > Tutorials > Simple workflow - ready to be deployed to LiveDesign
    0
    schroedinger
  3. Workflow
    QSAR - Random forest
    LiveDesign LigPrep QikProp
    +1
    Reports the predictions of a pregenerated random forest QSAR model run on physicochemical properties generated with QikProp from …
    schroedinger > LiveDesign_models > Cheminformatics > QSAR - random forest
    0
    schroedinger
  4. Workflow
    ADME
    LiveDesign QikProp LigPrep
    +1
    Calculates ADME properties with QikProp. [32100] 21.2.0 See more details on https://kni.me/w/RpztARBF0SQ3TAbw
    schroedinger > Internal development > 22-3 > atom_charge_labels > NDDO charges --- 0523 JK
    0
    schroedinger
  5. Workflow
    ADME
    LiveDesign QikProp LigPrep
    +1
    Calculates ADME properties with QikProp. [32100] 21.2.0 See more details on https://kni.me/w/RpztARBF0SQ3TAbw
    schroedinger > Internal development > 22-3 > atom_charge_labels > MM charges --- 0523 JK
    0
    schroedinger
  6. Workflow
    ADME in LiveDesign
    LiveDesign QikProp LigPrep
    ADME properties are calculated with QikProp. The workflow is exported as Computational model in LiveDesign.
    schroedinger > Workflow_examples > ADME > Atropisomerism > Atropisomerism
    0
    schroedinger
  7. Workflow
    ADME - to be run in LiveDesign
    LiveDesign QikProp LigPrep
    Calculates ADME properties with QikProp. The workflow is uploaded as Computational model to LiveDesign.
    schroedinger > LiveDesign_models > _Support_materials > Tutorials > Simple workflow - to be prepared to be run in LiveDesign
    0
    schroedinger
  8. Workflow
    ADME
    LiveDesign QikProp LigPrep
    +1
    Calculates ADME properties with QikProp. [32100] 21.2.0
    schroedinger > LiveDesign_models > ADME and molecular properties > ADME
    0
    schroedinger