Neural networks applied to quantitative structure-activity relationship analysis.
An application of the neural network to quantitative structure-activity relationship (QSAR) analysis has been studied. The new method was compared with the linear multiregression analysis in various ways. It was found that the neural network can be a potential tool in the routine work of QSAR analysis. The mathematical relationship of operation between the neural network and the multiregression analysis was described. It was shown that the neural network can exceed the level of the linear multiregression analysis.
Aoyama
T
T
Hitachi Computer Engineering Co. Ltd., Kanagawa, Japan.
Suzuki
Y
Y
Ichikawa
H
H
D000818:Animals; D001389:Azirines / Q000494:pharmacology*; D001569:Benzodiazepines / Q000494:pharmacology*; D002225:Carbazilquinone / Q000494:pharmacology*; D009415:Nerve Net / Q000187:drug effects*; D009420:Nervous System / Q000187:drug effects*; D012044:Regression Analysis; D013329:Structure-Activity Relationship
D001389:Azirines; D001569:Benzodiazepines; D002225:Carbazilquinone