search

uibcdf / OpenPharmacophore

An open library to work with pharmacophores.
https://www.uibcdf.org/OpenPharmacophore
MIT License
33 stars 10 forks source link

Ligand Based Pharmacophore #53

Open Daniel-Ibarrola opened 2 years ago

Daniel-Ibarrola commented 2 years ago

We need to be able to extract pharmacophores from a set of ligands. To do this a proper algorithm for pharmacophore elucidation must be implemented. Several algorithms have been developed in this regard, some examples include: