Development and implementation of an enterprise-wide predictive model for early absorption, distribution, metabolism and excretion properties

Accurate prediction of absorption, distribution, metabolism and excretion (ADME) properties can facilitate the identification of promising drug candidates. The authors present the Janssen generic Target Product Profile (gTPP) model, which predicts 18 early ADME properties, employs a graph convolutio...

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Veröffentlicht in:	Future medicinal chemistry 2021-10, Vol.13 (19), p.1639-1654
Hauptverfasser:	Kumar, Kiran, Chupakhin, Vladimir, Vos, Ann, Morrison, Denise, Rassokhin, Dmitrii, Dellwo, Martin J, McCormick, Keith, Paternoster, Eric, Ceulemans, Hugo, DesJarlais, Renee L
Format:	Artikel
Sprache:	eng
Schlagworte:	ADME prediction artificial intelligence computer-aided drug design Cytochrome P-450 Enzyme Inhibitors - chemistry Cytochrome P-450 Enzyme Inhibitors - pharmacology Cytochrome P-450 Enzyme System - metabolism Drug Development drug discovery Humans machine learning Models, Molecular pharmaceutical chemistry
Online-Zugang:	Volltext
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