A graph-theoretic approach to modeling metabolic pathways.
The metabolic pathways of medazepam, oxazepam, and diazepam were modeled using graph-theoretic transforms which are incorporable into computer-assisted metabolic analysis programs. The information, represented in the form of a graph-theoretic transform kit, which was obtained from these pathways was then used to predict the metabolites of other benzodiazepine compounds. The transform kits gave statistically significant predictions with respect to a statistical method for evaluating the performance of the transform kits.
Department of Chemistry, Kent State University, OH 44242.
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Gifford
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Johnson
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Tsai
D014151:Anti-Anxiety Agents / Q000378:metabolism*; D003201:Computers; D003975:Diazepam / Q000378:metabolism; D006801:Humans; D008472:Medazepam / Q000378:metabolism; D008954:Models, Biological; D015233:Models, Statistical; D010076:Oxazepam / Q000378:metabolism
D014151:Anti-Anxiety Agents; D010076:Oxazepam; D008472:Medazepam; D003975:Diazepam