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Using absolute and relative reasoning in the prediction of the potential metabolism of xenobiotics.
- 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.
- Subjects :
- Cyclohexanols chemistry
Cyclohexanols metabolism
Mianserin chemistry
Mianserin metabolism
Naltrexone chemistry
Naltrexone metabolism
Phenothiazines chemistry
Phenothiazines metabolism
Quaternary Ammonium Compounds
Venlafaxine Hydrochloride
Xenobiotics chemistry
Expert Systems
Models, Biological
Naltrexone analogs & derivatives
Xenobiotics metabolism
Subjects
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