Topological estimation of cytotoxic activity of some anti-HIV agents: HEPT analogues

QSAR studies on anti-HIV cytotoxic activities of a series of HEPT(1-[(2-hydroxyethoxy) methyl]-6-(phenylthio)-thymine) analogues have been discussed. The molecular descriptors used being van der Waals volume (Vw) and equalized electronegativity (ceq). The in vitro cytotoxicities (pCC50) were modelled using these parameters. It was observed that upon introduction of indicator parameters statistically excellent models are obtained. The predictive power of the models was examined using a cross-validation method.