Over the past decade plants have become an interesting source of new classes of pharmacologically active natural products. Some secondary metabolites are also well known for their effectiveness on living species. The PASS (Prediction of Activity Spectra for Substances) computer program, which is able to simultaneously predict more than one thousand biological and toxicological activities from only the structural formulas of the chemicals, was used to predict the biological activity profile of 7 secondary metabolites. PASS predictions were successfully compared to the available information on the pharmacological and toxicological activity of these compounds.
De Britto, A. John; Raj, T. Leon Stephan; and Chelliah, D. Abiya
"Prediction of Biological Activity Spectra for Few Anticancer Drugs Derived from Plant Sources,"
1, Article 109.
Available at: http://opensiuc.lib.siu.edu/ebl/vol2008/iss1/109