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