STRUCTURE-ACTIVITY-RELATIONSHIPS ON PESTICIDES - A DEVELOPMENT IN METHODOLOGY AND ITS SOFTWARE SYSTEM / J. Chem. Inf. Comput. Sci.
- Authors
- Publication Date
- May 01, 1993
- Source
- Institutional Repository of Institute of Process Engineering, CAS (IPE-IR）
- Keywords
- License
- Unknown
- External links
Abstract
An overview of the project ''Computer-Aided Molecular Design of Pesticide'' running in LCC, Chinese Academy of Sciences, is presented. In this paper, the authors propose a structural frame model (SFM) method for numeralization of structural factors and report a user-friendly software named ''Computer-Aided Screening of Agricultural Chemicals' (CASAC) developed by LCC, including a prototype of structure-activity database (S-ADB) to support SAR/QSAR studies and computer-aided molecular design. Some typical case studies on herbicides, insecticides, and chemical hybridizing agents have been represented. The paper is focused on the SFM method for superimposing structural information and noteworthy functions of the CASAC system (version 1991). / An overview of the project ''Computer-Aided Molecular Design of Pesticide'' running in LCC, Chinese Academy of Sciences, is presented. In this paper, the authors propose a structural frame model (SFM) method for numeralization of structural factors and report a user-friendly software named ''Computer-Aided Screening of Agricultural Chemicals' (CASAC) developed by LCC, including a prototype of structure-activity database (S-ADB) to support SAR/QSAR studies and computer-aided molecular design. Some typical case studies on herbicides, insecticides, and chemical hybridizing agents have been represented. The paper is focused on the SFM method for superimposing structural information and noteworthy functions of the CASAC system (version 1991).
