Validated predictive QSAR modeling of N-aryl-oxazolidinone-5-carboxamides for anti-HIV protease activity

Validated predictive QSAR modeling was done on some N-aryl-oxazolidinone-5-carboxamides for higher anti-HIV protease activities. Stepwise regression developed significant models showing importance of atom based descriptors like RTSA indices, Wang-Ford charges and different whole molecular descriptors. The true predictabilities of QSAR models were justified by challenging these against an external dataset. A representative high active compound was predicted by this modeling. It showed that internal and external validations may lead to the same conclusion. (C) 2010 Elsevier Ltd. All rights reserved.