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META. 2. A dictionary model of mammalian xenobiotic metabolism.

作者信息

Talafous J, Sayre L M, Mieyal J J, Klopman G

机构信息

Chemistry Department, Case Western Reserve University, Cleveland, Ohio 44106-7078.

出版信息

J Chem Inf Comput Sci. 1994 Nov-Dec;34(6):1326-33. doi: 10.1021/ci00022a015.

Abstract

META is a new knowledge-based expert system that provides computer simulation of the biotransformation of chemicals. The program is based on the recognition of key functional groups within the complete chemical structure and therefore can predict the metabolites of new xenobiotics. Here, we describe a comprehensive knowledge base built for the purposes of modeling mammalian metabolism with META methodology.

摘要

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