A probabilistic method to report predictions from a human liver microsomes stability QSAR model: a practical tool for drug discovery

Using data from the in vitro liver microsomes metabolic stability assay, we have developed QSAR models to predict in vitro human clearance. Models were trained using in house high-throughput assay data reported as the predicted human hepatic clearance by liver microsomes or pCL h . Machine learning...

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Veröffentlicht in:Journal of computer-aided molecular design 2015-04, Vol.29 (4), p.327-338
Hauptverfasser: Aliagas, Ignacio, Gobbi, Alberto, Heffron, Timothy, Lee, Man-Ling, Ortwine, Daniel F., Zak, Mark, Khojasteh, S. Cyrus
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Sprache:eng
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