DrugTax: package for drug taxonomy identification and explainable feature extraction

DrugTax: package for drug taxonomy identification and explainable feature extraction

Abstract DrugTax is an easy-to-use Python package for small molecule detailed characterization. It extends a previously explored chemical taxonomy making it ready-to-use in any Artificial Intelligence approach. DrugTax leverages small molecule representations as input in one of their most accessible...

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Bibliographic Details
Main Authors: A. J. Preto, Paulo C. Correia, Irina S. Moreira
Format: Article
Language:English
Published: BMC 2022-10-01
Series:Journal of Cheminformatics
Subjects:
DrugTax
Small molecules
Machine learning
Explainability
Python
Online Access:https://doi.org/10.1186/s13321-022-00649-w

Internet

https://doi.org/10.1186/s13321-022-00649-w

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