Literature DB >> 7989398

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

J Talafous1, L M Sayre, J J Mieyal, G Klopman.   

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.

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Year:  1994        PMID: 7989398     DOI: 10.1021/ci00022a015

Source DB:  PubMed          Journal:  J Chem Inf Comput Sci        ISSN: 0095-2338


  16 in total

1.  New methods in predictive metabolism.

Authors:  Scott Boyer; Ismael Zamora
Journal:  J Comput Aided Mol Des       Date:  2002 May-Jun       Impact factor: 3.686

Review 2.  New methods in predictive metabolism.

Authors:  Scott Boyer; Ismael Zamora
Journal:  Mol Divers       Date:  2002       Impact factor: 2.943

Review 3.  Computational methods in drug discovery.

Authors:  Gregory Sliwoski; Sandeepkumar Kothiwale; Jens Meiler; Edward W Lowe
Journal:  Pharmacol Rev       Date:  2013-12-31       Impact factor: 25.468

4.  Computational tools and resources for metabolism-related property predictions. 1. Overview of publicly available (free and commercial) databases and software.

Authors:  Megan L Peach; Alexey V Zakharov; Ruifeng Liu; Angelo Pugliese; Gregory Tawa; Anders Wallqvist; Marc C Nicklaus
Journal:  Future Med Chem       Date:  2012-10       Impact factor: 3.808

5.  An efficient algorithm for de novo predictions of biochemical pathways between chemical compounds.

Authors:  Masaomi Nakamura; Tsuyoshi Hachiya; Yutaka Saito; Kengo Sato; Yasubumi Sakakibara
Journal:  BMC Bioinformatics       Date:  2012-12-13       Impact factor: 3.169

6.  PROXIMAL: a method for Prediction of Xenobiotic Metabolism.

Authors:  Mona Yousofshahi; Sara Manteiga; Charmian Wu; Kyongbum Lee; Soha Hassoun
Journal:  BMC Syst Biol       Date:  2015-12-22

Review 7.  Antihypertensive drugs metabolism: an update to pharmacokinetic profiles and computational approaches.

Authors:  Aikaterini Zisaki; Ljubisa Miskovic; Vassily Hatzimanikatis
Journal:  Curr Pharm Des       Date:  2015       Impact factor: 3.116

8.  KCF-S: KEGG Chemical Function and Substructure for improved interpretability and prediction in chemical bioinformatics.

Authors:  Masaaki Kotera; Yasuo Tabei; Yoshihiro Yamanishi; Yuki Moriya; Toshiaki Tokimatsu; Minoru Kanehisa; Susumu Goto
Journal:  BMC Syst Biol       Date:  2013-12-13

9.  E-zyme: predicting potential EC numbers from the chemical transformation pattern of substrate-product pairs.

Authors:  Yoshihiro Yamanishi; Masahiro Hattori; Masaaki Kotera; Susumu Goto; Minoru Kanehisa
Journal:  Bioinformatics       Date:  2009-06-15       Impact factor: 6.937

10.  Supervised de novo reconstruction of metabolic pathways from metabolome-scale compound sets.

Authors:  Masaaki Kotera; Yasuo Tabei; Yoshihiro Yamanishi; Toshiaki Tokimatsu; Susumu Goto
Journal:  Bioinformatics       Date:  2013-07-01       Impact factor: 6.937

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