A novel simple QSAR model for the prediction of anti-HIV activity using multiple linear regression analysis
Ημερομηνία
2006Συγγραφέας
Afantitis, AntreasMelagraki, G.
Sarimveis, H.
Koutentis, Panayiotis Andreas
Markopoulos, J.
Igglessi-Markopoulou, O.
ISSN
1381-1991Source
Molecular diversityVolume
10Issue
3Pages
405-414Google Scholar check
Keyword(s):
Metadata
Εμφάνιση πλήρους εγγραφήςΕπιτομή
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 = 0.8160 SPRESS = 0.5680) proved to be very accurate both in training and predictive stages. © Springer 2006.