作者: Amir Najafi , Soheil Sobhan Ardakani
DOI: 10.1080/08927022.2010.520134
关键词:
摘要: A quantitative structure–anti HIV-1 activity relationship study has been applied in a series of 1-[2-hydroxyethoxy-methyl]-6-(phenylthio)thymine] analogues acting as non-nucleoside reverse transcriptase inhibitors. The relevant 2D autocorrelation descriptors for deriving relation between the anti-HIV and structural properties were selected by multiple linear regression approach. Analysis resulting model revealed correlation coefficient root mean square error 0.859 0.503, respectively. predictive ability indicates that this can be used virtual library screening databases novel potent agents.