Machine Learning-Augmented Docking. 1. CYP inhibition prediction

Digital Discovery, 2023, Accepted Manuscript
DOI: 10.1039/D3DD00110E, Paper
Open Access Open Access
Benjamin Kachkowski Weiser, Jérôme Genzling, Mihai Burai Patrascu, Ophélie Rostaing, Nicolas Moitessier
A significant portion of the oxidative metabolism carried out by the human body is accomplished by six Cytochrome P450 (CYP) enzymes. The binding of small molecules to these enzymes affects...
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