Machine learning accelerates pharmacophore-based virtual screening of MAO inhibitors

Machine learning accelerates pharmacophore-based virtual screening of MAO inhibitors

Abstract Nowadays, an efficient and robust virtual screening procedure is crucial in the drug discovery process, especially when performed on large and chemically diverse databases. Virtual screening methods, like molecular docking and classic QSAR models, are limited in their ability to handle vast...

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Bibliographic Details
Main Authors: Marcin Cieślak, Tomasz Danel, Olga Krzysztyńska-Kuleta, Justyna Kalinowska-Tłuścik
Format: Article
Language:English
Published: Nature Portfolio 2024-04-01
Series:Scientific Reports
Subjects:
Machine learning
Virtual screening
Monoamine oxidase inhibitors
Molecular descriptors
Molecular docking
Online Access:https://doi.org/10.1038/s41598-024-58122-7

Internet

https://doi.org/10.1038/s41598-024-58122-7

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