MIA-QSAR modeling of the anti-HIV-1 protease activities and cytotoxicities of ritonavir analogs.

Abstract

Drug-likeness and toxicity prediction of compounds are so important as to estimate their bioactivities. In rational design of drugs, looking for safe rather than only highly active synthetic targets has increasingly became mandatory. In this context, structure-based methods to model toxicities of drug-like compounds arise as fundamental tasks to achieve… (More)

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