/tools/pharmacophore-toolkit
pharmacophore-toolkit
tlint101/pharmacophore-toolkit
summary
The Pharmacophore-Toolkit allows users to generate simple pharmacophore models using RDKit, which can be derived from crystal structures, docking poses, or SMILES strings. It provides functionalities for visualizing these models in both 2D and 3D formats, aiding in the understanding of molecular interactions.
description
Generate Simple Pharmacophore Models with RDKit
topics
cheminformaticspharmacophore
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