Filtering drug-like molecules from ligand libraries

Drug-like small molecules follow certain rules: they should be not too big, not too hydrophilic, not too hydrophobic etc. This utility helps filter out obviously "bad" PDB ligands from any PDB library before they are converted to PDBQT and submitted to screening. It takes a few seconds to process 1000 molecules with this utility and reduces screening time by hours, weeks or months.

This utility is not part of VcPpt and is provided separately.