Self-organizing neural network for modeling 3D QSAR of colchicinoids.
A novel scheme for modeling 3D QSAR has been developed. A method involving multiple self-organizing neural network adjusted to be analyzed by the PLS (partial least squares) analysis was used to model 3D QSAR of the selected colchicinoids. The model obtained allows the identification of some structural determinants of the biological activity of compounds.
Polański
J
J
Department of Organic Chemistry, Institute of Chemistry, University of Silesia, Katowice, Poland. Polanski@us.edu.pl
D003078:Colchicine / Q000031:analogs & derivatives* / Q000737:chemistry*; D008958:Models, Molecular; D016571:Neural Networks, Computer; D021281:Quantitative Structure-Activity Relationship
D003078:Colchicine