P. Liu et Yy. Cheng, Studies on quantitative structure-activity relationships of benzodiazepines using fuzzy neural networks, CHEM J CH U, 21(10), 2000, pp. 1473-1478
In this paper, a new fuzzy neural network based on genetic algorithms is pr
oposed for quantitative structure-activity relationship (QSAR) studies of b
enzodiazepines. The method based on GA+FL+NN allows supervised learning of
fuzzy rules from significant examples and is affected unsusceptibly by the
problem of local extremes. The network's knowledge base has a linguistic re
presentation. This makes it easy for pharmaceutical chemists to understand
and interpret. It is possible to introduce current knowledge acquired by re
searchers simply by adding one or more fuzzy rules to the network's knowled
ge base. Once the fuzzy knowledge base extracted from examples, it can pred
ict the pharmacological activity of compounds at a high precision. The obta
ined fuzzy rules can also provide useful guidelines for synthesizing new co
mpounds with a high pharmacological activity.