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Off-targetP ML: an open source machine learning framework for off-target panel safety assessment of small molecules

Abstract Unpredicted drug safety issues constitute the majority of failures in the pharmaceutical industry according to several studies. Some of these preclinical safety issues could be attributed to the non-selective binding of compounds to targets other than their intended therapeutic target, caus...

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Main Authors: Doha Naga, Wolfgang Muster, Eunice Musvasva, Gerhard F. Ecker
Formato: Artigo
Idioma:Inglês
Publicado em: BMC 2022-05-01
Colecção:Journal of Cheminformatics
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Acesso em linha:https://doi.org/10.1186/s13321-022-00603-w
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