Combined Ensemble Docking and Machine Learning in Identification of Therapeutic Agents with Potential Inhibitory Effect on Human CES1

The human carboxylesterase 1 (CES1), responsible for the biotransformation of many diverse therapeutic agents, may contribute to the occurrence of adverse drug reactions and therapeutic failure through drug interactions. The present study is designed to address the issue of potential drug interactio...

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Autors principals:	Eliane Briand, Ragnar Thomsen, Kristian Linnet, Henrik Berg Rasmussen, Søren Brunak, Olivier Taboureau
Format:	Artigo
Idioma:	Inglês
Publicat:	MDPI AG 2019-07-01
Col·lecció:	Molecules
Matèries:	carboxylesterase 1 docking ensemble docking machine learning CES1 inhibitors adverse drug reactions metabolism
Accés en línia:	https://www.mdpi.com/1420-3049/24/15/2747
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