Classification of Cytochrome P450 1A2 Inhibitors and Noninhibitors by Machine Learning Techniques

The cytochrome P450 (P450) superfamily plays an important role in the metabolism of drug compounds, and it is therefore highly desirable to have models that can predict whether a compound interacts with a specific isoform of the P450s. In this work, we provide in silico models for classification of...

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Veröffentlicht in:	Drug metabolism and disposition 2009-03, Vol.37 (3), p.658-664
Hauptverfasser:	Vasanthanathan, Poongavanam, Taboureau, Olivier, Oostenbrink, Chris, Vermeulen, Nico P.E., Olsen, Lars, Jørgensen, Flemming Steen
Format:	Artikel
Sprache:	eng
Schlagworte:	Artificial Intelligence Biological and medical sciences Cytochrome P-450 CYP1A2 Inhibitors Enzyme Inhibitors - classification Medical sciences Models, Theoretical Pharmacology. Drug treatments Quantitative Structure-Activity Relationship
Online-Zugang:	Volltext
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