AutoQSAR Build Model
Generate QSAR models for a chosen property of a set of compounds, and apply the QSAR model to other compounds. Descriptor data and fingerprints are automatically generated. Multiple QSAR models are generated with different methods, the models are ranked, and the best models are returned.
autoqsar_gui.py is used to configure this node
- Type: Data Ligands in Maestro or Sdf format
- Type: Data QSAR model in qzip format