Abstract: Using the method of stepwise multivariate linear regression (SMLR), the quantitative structure activity relationships (QSAR) of two isomeric series of taxol and its derivatives have been studied. It was found that the molar refractivity of the C3' substituent of the C13 side chain has significant correlation with its activity. We deduce that structural changes in the C3' substituents may be critical to the anticancer function. It would be useful to the design and synthesis of taxol like compounds with improved activities.

Key words: Taxol, Stepwise multivariate linear regression (SMLR), Molar refractivity