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

Authors :
Button WG
Judson PN
Long A
Vessey JD
Source :
Journal of chemical information and computer sciences [J Chem Inf Comput Sci] 2003 Sep-Oct; Vol. 43 (5), pp. 1371-7.
Publication Year :
2003

Abstract

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.

Details

Language :
English
ISSN :
0095-2338
Volume :
43
Issue :
5
Database :
MEDLINE
Journal :
Journal of chemical information and computer sciences
Publication Type :
Academic Journal
Accession number :
14502469
Full Text :
https://doi.org/10.1021/ci0202739