Fuzzy Adaptive Least Squares Applied to Structure-Activity and Structure-Toxicity Correlations
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概要
- 論文の詳細を見る
A 1991 version of fuzzy adaptive least squares (FALS91) has been developed to analyze structure-activity rating data for generation of QSAR (quantitative structure-activity relationship) models. Improvements were made in this version especially to the error-correcting feedback adaptation of discriminant functions to avoid falling into a local optimum. This paper showed effective applications of FALS91 to structure-activity correlation of 29 antihypertensive arylacryloylpiperazine derivatives and structure-toxicity correlation of human acute toxicity of 504 organic chemicals as typical examples of small- and large-scale data sets, respectively. These examples demonstrated the high reliability of FALS91 in both recognition and leave-one-out prediction.
- 公益社団法人日本薬学会の論文
- 1992-04-25
著者
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広野 修一
北里大学薬学部
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広野 修一
Department Of Pharmaceutical Sciences Kitasato University
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森口 郁生
School Of Pharmaceutical Sciences Kitasato University
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松下 泰雄
School of Pharmaceutical Sciences, Kitasato University
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劉 謙
School Of Pharmaceutical Sciences Kitasato University
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広野 修一
School of Pharmaceutical Sciences, Kitasato University
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中込 泉
School of Pharmaceutical Sciences, Kitasato University
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森口 郁生
北里大
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松下 泰雄
School Of Pharmaceutical Sciences Kitasato University
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Moriguchi I
School Of Pharmaceutical Sciences Kitasato University
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