Literature DB >> 7989397

META. 1. A program for the evaluation of metabolic transformation of chemicals.

G Klopman1, M Dimayuga, J Talafous.   

Abstract

A new metabolism program, META, is introduced. In this paper, the basic principles on which the program operates are described. META is an expert system, capable of predicting the sites of potential enzymatic attack and the nature of the chemicals formed by such metabolic transformations. It operates from dictionaries of transformation operators, created by experts to represent known metabolic paths.

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Year:  1994        PMID： 7989397     DOI： 10.1021/ci00022a014

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


  27 in total

1.  Simultaneous prediction of aqueous solubility and octanol/water partition coefficient based on descriptors derived from molecular structure.

Authors:  D J Livingstone; M G Ford; J J Huuskonen; D W Salt
Journal:  J Comput Aided Mol Des       Date:  2001-08       Impact factor: 3.686

2.  New atom-type-based AI topological indices: application to QSPR studies of aldehydes and ketones.

Authors:  Biye Ren
Journal:  J Comput Aided Mol Des       Date:  2003-09       Impact factor: 3.686

3.  Establishing synthesis pathway-host compatibility via enzyme solubility.

Authors:  Sara A Amin; Venkatesh Endalur Gopinarayanan; Nikhil U Nair; Soha Hassoun
Journal:  Biotechnol Bioeng       Date:  2019-03-29       Impact factor: 4.530

4.  QSAR modeling: where have you been? Where are you going to?

Authors:  Artem Cherkasov; Eugene N Muratov; Denis Fourches; Alexandre Varnek; Igor I Baskin; Mark Cronin; John Dearden; Paola Gramatica; Yvonne C Martin; Roberto Todeschini; Viviana Consonni; Victor E Kuz'min; Richard Cramer; Romualdo Benigni; Chihae Yang; James Rathman; Lothar Terfloth; Johann Gasteiger; Ann Richard; Alexander Tropsha
Journal:  J Med Chem       Date:  2014-01-06       Impact factor: 7.446

5.  Multivariate analysis of experimental and computational descriptors of molecular lipophilicity.

Authors:  R Mannhold; G Cruciani; K Dross; R Rekker
Journal:  J Comput Aided Mol Des       Date:  1998-11       Impact factor: 3.686

6.  Prediction of metabolic reactions based on atomic and molecular properties of small-molecule compounds.

Authors:  Fangping Mu; Clifford J Unkefer; Pat J Unkefer; William S Hlavacek
Journal:  Bioinformatics       Date:  2011-04-08       Impact factor: 6.937

7.  Prediction of novel synthetic pathways for the production of desired chemicals.

Authors:  Ayoun Cho; Hongseok Yun; Jin Hwan Park; Sang Yup Lee; Sunwon Park
Journal:  BMC Syst Biol       Date:  2010-03-28

8.  Prediction of the Fate of Organic Compounds in the Environment From Their Molecular Properties: A Review.

Authors:  Laure Mamy; Dominique Patureau; Enrique Barriuso; Carole Bedos; Fabienne Bessac; Xavier Louchart; Fabrice Martin-Laurent; Cecile Miege; Pierre Benoit
Journal:  Crit Rev Environ Sci Technol       Date:  2015-06-18       Impact factor: 12.561

9.  In silico feasibility of novel biodegradation pathways for 1,2,4-trichlorobenzene.

Authors:  Stacey D Finley; Linda J Broadbelt; Vassily Hatzimanikatis
Journal:  BMC Syst Biol       Date:  2010-02-02

Review 10.  Genome-scale models of bacterial metabolism: reconstruction and applications.

Authors:  Maxime Durot; Pierre-Yves Bourguignon; Vincent Schachter
Journal:  FEMS Microbiol Rev       Date:  2008-12-03       Impact factor: 16.408
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