Common pharmacophores can be obtained from a set of ligands with known activity using the LigandBasedPharmacophore class. Besides extraction of common pharmacophores, this class also impements a workflow to prepare the ligands for pharmacophore elucidation, for example, by adding hydrogens and generating conformers.
Pharmacophores can be found with just a few lines of code
Description
Common pharmacophores can be obtained from a set of ligands with known activity using the
LigandBasedPharmacophore
class. Besides extraction of common pharmacophores, this class also impements a workflow to prepare the ligands for pharmacophore elucidation, for example, by adding hydrogens and generating conformers.Pharmacophores can be found with just a few lines of code
Todos
Status