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Comparison of neural network and regression models in molecular simulation of relationships between chemical structure and biological activity |
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| Authors: | Peter Mager Robert Reinhardt |
| Affiliation: | Research Group of Pharmacochemistry, Institute of Pharmacology and Toxicology of the University, D-04107 Leipzig, H?rtelstr. 16-18, Saxony, Germany |
| Abstract: | |
| Keywords: | Quantitative-structure activity relationships QSAR Ordinary least-squares multiple regression analysis Hansch approach Nonleast-squares regression Partial-least squares regression Backpropagation network Generalized-regression genetic-neural network 3,3′-diethyl-2-azetidinones Leucoctyte elastase |