A structure-activity relationship study of organophosphorus compounds
R. H. Rohrbaugh, P. C. Jurs, William P. Ashman, E. G. Davis, J. H. Lewis · Chemical Research in Toxicology · 1988
Organophosphorus compounds have been shown to exhibit toxic behavior as insecticides, pesticides, and mammalicides. Soman and 21 related compounds were studied for possible structure-activity relationships. Computer-aided methods were used to generate a linear expression relating the activity (ln [1/LD50], rabbit I.V.) of the compounds to three structure-based descriptors (R = 0.96). Principal components regression and jackknife analysis were performed to assess the stability of the model.