Pmapper, an open-source software built with python, was developed to aid with ligand-based pharmacophore generation. The novelty is that it uses a different algorithm that does not rely on alignment of compounds to find a common pharmacophore.
In the article, the algorithm used in the software is described, as well as the targets and datasets used to validate these methods.
Kutlushina, Alina, Aigul Khakimova, Timur Madzhidov, and Pavel Polishchuk. “Ligand-Based Pharmacophore Modeling Using Novel 3D Pharmacophore Signatures.” Molecules 23, no. 12 (2018): 3094.
Pmapper, an open-source software built with python, was developed to aid with ligand-based pharmacophore generation. The novelty is that it uses a different algorithm that does not rely on alignment of compounds to find a common pharmacophore.
In the article, the algorithm used in the software is described, as well as the targets and datasets used to validate these methods.