A novel simple QSAR model for the prediction of anti-HIV activity using multiple linear regression analysis
Koutentis, Panayiotis Andreas
Google Scholar check
MetadataShow full item record
A quantitative-structure activity relationship was obtained by applying Multiple Linear Regression Analysis to a series of 80 1-[2-hydroxyethoxy-methyl] -6-(phenylthio) thymine (HEPT) derivatives with significant anti-HIV activity. For the selection of the best among 37 different descriptors, the Elimination Selection Stepwise Regression Method (ES-SWR) was utilized. The resulting QSAR model (RCV 2 = 0.8160SPRESS = 0.5680) proved to be very accurate both in training and predictive stages. © Springer 2006.