Rohrbaugh R H, Jurs P C, Ashman W P, Davis E G, Lewis J H
Chemistry Department, Pennsylvania State University, University Park 16802.
Chem Res Toxicol. 1988 Mar-Apr;1(2):123-7. doi: 10.1021/tx00002a006.
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.
