AQUATIC TOXICITY. : A PREDICTIVE STRUCTURE-ACTIVITY MODEL
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概要
- 論文の詳細を見る
A quantitative structure-toxicity model has been developed for the estimation of aquatic toxicity ratings for a wide variety of organic chemicals using the adaptive least-squares (ALS 81) method. The discriminant function is based on substructural fragments obtained for 280 compounds. The data base used for the derivation of the function was obtained from the Registry of Toxic Effects of Chemical Substances of U.S. Department of Health and Human Services. The accuracy of classifying the chemicals into three toxicity ratings was 86% in the recognition and 82% in the leave-one-out prediction. All misclassified compounds were assigned to the neighboring ratings in both recognition and prediction.
- 公益社団法人日本薬学会の論文
- 1985-09-25
著者
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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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小松 克一郎
School of Pharmaceutical Sciences, Kitasato University
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広野 修一
School of Pharmaceutical Sciences, Kitasato University
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小松 克一郎
School Of Pharmaceutical Sciences Kitasato University
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