ALOHA: a novel probability fusion approach for scoring multi-parameter drug-likeness during the lead optimization stage of drug discovery

Automated lead optimization helper application (ALOHA) is a novel fitness scoring approach for small molecule lead optimization. ALOHA employs a series of generalized Bayesian models trained from public and proprietary pharmacokinetic, absorption, distribution, metabolism, and excretion, and toxicol...

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Veröffentlicht in:Journal of computer-aided molecular design 2013-09, Vol.27 (9), p.771-782
Hauptverfasser: Debe, Derek A., Mamidipaka, Ravindra B., Gregg, Robert J., Metz, James T., Gupta, Rishi R., Muchmore, Steven W.
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Sprache:eng
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