Using absolute and relative reasoning in the prediction of the potential metabolism of xenobiotics

被引:51
作者
Button, WG [1 ]
Judson, PN [1 ]
Long, A [1 ]
Vessey, JD [1 ]
机构
[1] Univ Leeds, LHASA Ltd, Dept Chem, Leeds LS2 9JT, W Yorkshire, England
来源
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES | 2003年 / 43卷 / 05期
关键词
D O I
10.1021/ci0202739
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
To be useful, a system which predicts the metabolic fate of a chemical should predict the more likely metabolites rather than every possibility. Reasoning can be used to prioritize biotransformations, but a real biochemical domain is complex and cannot be fully defined in terms of the likelihood of events. This paper describes the combined use of two models for reasoning under uncertainty in a working system, METEOR-one model deals with absolute reasoning and the second with relative reasoning.
引用
收藏
页码:1371 / 1377
页数:7
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