A structure-activity relationship study of organophosphorus compounds.
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.
Rohrbaugh
R H
RH
Chemistry Department, Pennsylvania State University, University Park 16802.
Jurs
P C
PC
Ashman
W P
WP
Davis
E G
EG
Lewis
J H
JH
D003196:Computer Graphics; D008958:Models, Molecular; D008968:Molecular Conformation; D009943:Organophosphorus Compounds / Q000737:chemistry*; D013329:Structure-Activity Relationship
D009943:Organophosphorus Compounds