Greedy 3-Point Search (G3PS)—A Novel Algorithm for Pharmacophore Alignment

Greedy 3-Point Search (G3PS)—A Novel Algorithm for Pharmacophore Alignment

Chemical features of small molecules can be abstracted to 3D pharmacophore models, which are easy to generate, interpret, and adapt by medicinal chemists. Three-dimensional pharmacophores can be used to efficiently match and align molecules according to their chemical feature pattern, which facilita...

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Bibliographic Details
Main Authors:	Christian Permann, Thomas Seidel, Thierry Langer
Format:	Article
Language:	English
Published:	MDPI AG 2021-11-01
Series:	Molecules
Subjects:	pharmacophore alignment pharmacophore modelling virtual screening greedy algorithm drug design
Online Access:	https://www.mdpi.com/1420-3049/26/23/7201

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