New QSAR Models for Human Cytochromes P450, 1A2, 2D6 and 3A4 Implicated in the Metabolism of Drugs. Relevance of Dataset on Model Development

Mol Inform. 2013 Jul;32(7):573-7. doi: 10.1002/minf.201300031. Epub 2013 Jul 8.

Authors

Juan Martinez-Sanz¹, Pascal Bonnet¹, Sylvain Lozano², Alban Arrault², Luc Morin-Allory¹, Philippe Vayer³

Affiliations

¹ Univ. Orléans, CNRS, ICOA, UMR 7311, F-45067 Orléans, France.
² Technologie Servier, 25-27 rue Eugène Vignat, 45000 Orléans, France.
³ Technologie Servier, 25-27 rue Eugène Vignat, 45000 Orléans, France. [email protected].

PMID: 27481765
DOI: 10.1002/minf.201300031

No abstract available

Keywords: ADME; CYP450; QSAR model; Random Forest; Support Vector Machine.