Open AccessSelf-organizing neural network for modeling 3D QSAR of colchicinoids.
Author(s) -
Jarosław Polański
Publication year - 2000
Publication title -
acta biochimica polonica
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.452
H-Index - 78
eISSN - 1734-154X
pISSN - 0001-527X
DOI - 10.18388/abp.2000_4060
Subject(s) - quantitative structure–activity relationship , partial least squares regression , identification (biology) , artificial neural network , computer science , artificial intelligence , machine learning , data mining , biology , ecology
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.