AutoQSAR Predict

Choose structures to make predictions for and the model to apply. When the job finishes, the structures with the predicted values are incorporated into the project.

Backend implementation

$SCHRODINGER/utilities/autoqsar

Input ports

1. Type: Table
   QSAR models in qzip format
   QSAR models in qzip format
2. Type: Table
   Ligands in Maestro or Sdf format
   Ligands in Maestro or Sdf format

Output ports

1. Type: Table
   Ligands in Maestro or Sdf format
   Ligands in Maestro or Sdf format