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

Using absolute and relative reasoning in the prediction of the potential metabolism of xenobiotics
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DOI:
10.1021/ci0202739
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发表时间:
2003-09-01
期刊:
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES
影响因子:
--
通讯作者:
Vessey, JD
Vessey, JD
中科院分区:
其他
文献类型:
--
作者:
Button, WG;Judson, PN;Vessey, JD

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为了有用,一个预测化学物质代谢命运的系统应该预测更可能的代谢物,而不是每一种可能性。推理可以用来优先考虑生物转化,但一个真正的生化领域是复杂的,不能完全定义事件的可能性。本文介绍了两种模型在工作系统不确定条件下的联合应用,一种是绝对推理模型,另一种是相对推理模型。
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.