Summary
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 (R 2 CV = 0.8160; S PRESS = 0.5680) proved to be very accurate both in training and predictive stages.
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Afantitis, A., Melagraki, G., Sarimveis, H. et al. A novel simple QSAR model for the prediction of anti-HIV activity using multiple linear regression analysis. Mol Divers 10, 405–414 (2006). https://doi.org/10.1007/s11030-005-9012-2
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DOI: https://doi.org/10.1007/s11030-005-9012-2