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Items: 1 to 20 of 114

1.

Simulation of chemical metabolism for fate and hazard assessment. II CATALOGIC simulation of abiotic and microbial degradation.

Dimitrov S, Pavlov T, Dimitrova N, Georgieva D, Nedelcheva D, Kesova A, Vasilev R, Mekenyan O.

SAR QSAR Environ Res. 2011 Oct;22(7-8):719-55. doi: 10.1080/1062936X.2011.623322. Epub 2011 Oct 14.

PMID:
21999837
2.

Simulation of chemical metabolism for fate and hazard assessment. I: approach for simulating metabolism.

Dimitrov S, Pavlov T, Veith G, Mekenyan O.

SAR QSAR Environ Res. 2011 Oct;22(7-8):699-718. doi: 10.1080/1062936X.2011.623323. Epub 2011 Oct 14.

PMID:
21999104
3.

Simulation of chemical metabolism for fate and hazard assessment. V. Mammalian hazard assessment.

Mekenyan O, Dimitrov S, Pavlov T, Dimitrova G, Todorov M, Petkov P, Kotov S.

SAR QSAR Environ Res. 2012 Jul;23(5-6):553-606. doi: 10.1080/1062936X.2012.679689. Epub 2012 Apr 27.

PMID:
22536822
4.

Simulation of chemical metabolism for fate and hazard assessment. IV. Computer-based derivation of metabolic simulators from documented metabolism maps.

Karabunarliev S, Dimitrov S, Pavlov T, Nedelcheva D, Mekenyan O.

SAR QSAR Environ Res. 2012 Jul;23(5-6):371-87. doi: 10.1080/1062936X.2011.645873. Epub 2012 Mar 7.

PMID:
22394252
5.

A review of structure-based biodegradation estimation methods.

Raymond JW, Rogers TN, Shonnard DR, Kline AA.

J Hazard Mater. 2001 Jun 29;84(2-3):189-215. Review.

PMID:
11406306
6.

Including degradation products of persistent organic pollutants in a global multi-media box model.

Schenker U, Scheringer M, Hungerbühler K.

Environ Sci Pollut Res Int. 2007 May;14(3):145-52.

PMID:
17561772
7.

Xenobiotics in the environment: present and future strategies to obviate the problem of biological persistence.

Rieger PG, Meier HM, Gerle M, Vogt U, Groth T, Knackmuss HJ.

J Biotechnol. 2002 Mar 14;94(1):101-23. Review.

PMID:
11792455
8.

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

Talafous J, Sayre LM, Mieyal JJ, Klopman G.

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

PMID:
7989398
9.

Quantitative prediction of biodegradability, metabolite distribution and toxicity of stable metabolites.

Dimitrov S, Breton R, Macdonald D, Walker JD, Mekenyan O.

SAR QSAR Environ Res. 2002 May-Jun;13(3-4):445-55.

PMID:
12184386
10.

Experimental studies of environmental processes: A practical course in environmental chemistry.

Růzicková P, Holoubek I, Klánová J.

Environ Sci Pollut Res Int. 2006 Oct;13(6):435-40.

PMID:
17120836
11.

Bioavailability of xenobiotics in the soil environment.

Katayama A, Bhula R, Burns GR, Carazo E, Felsot A, Hamilton D, Harris C, Kim YH, Kleter G, Koedel W, Linders J, Peijnenburg JG, Sabljic A, Stephenson RG, Racke DK, Rubin B, Tanaka K, Unsworth J, Wauchope RD.

Rev Environ Contam Toxicol. 2010;203:1-86. doi: 10.1007/978-1-4419-1352-4_1. Review.

PMID:
19957116
12.

Predicting the biodegradation products of perfluorinated chemicals using CATABOL.

Dimitrov S, Kamenska V, Walker JD, Windle W, Purdy R, Lewis M, Mekenyan O.

SAR QSAR Environ Res. 2004 Feb;15(1):69-82.

PMID:
15113070
13.

Bioconcentration, bioaccumulation, and metabolism of pesticides in aquatic organisms.

Katagi T.

Rev Environ Contam Toxicol. 2010;204:1-132. doi: 10.1007/978-1-4419-1440-8_1. Review.

PMID:
19957234
14.

A kinetic model for predicting biodegradation.

Dimitrov S, Pavlov T, Nedelcheva D, Reuschenbach P, Silvani M, Bias R, Comber M, Low L, Lee C, Parkerton T, Mekenyan O.

SAR QSAR Environ Res. 2007 Jul-Sep;18(5-6):443-57.

PMID:
17654334
15.

Biochemical reaction network modeling: predicting metabolism of organic chemical mixtures.

Mayeno AN, Yang RS, Reisfeld B.

Environ Sci Technol. 2005 Jul 15;39(14):5363-71.

PMID:
16086453
16.

POPs: a QSAR system for developing categories for persistent, bioaccumulative and toxic chemicals and their metabolites.

Mekenyan OG, Dimitrov SD, Pavlov TS, Veith GD.

SAR QSAR Environ Res. 2005 Feb-Apr;16(1-2):103-33.

PMID:
15844446
17.

Virtual tissues in toxicology.

Shah I, Wambaugh J.

J Toxicol Environ Health B Crit Rev. 2010 Feb;13(2-4):314-28. doi: 10.1080/10937404.2010.483948.

PMID:
20574905
18.

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

Klopman G, Dimayuga M, Talafous J.

J Chem Inf Comput Sci. 1994 Nov-Dec;34(6):1320-5.

PMID:
7989397
19.

enviPath--The environmental contaminant biotransformation pathway resource.

Wicker J, Lorsbach T, Gütlein M, Schmid E, Latino D, Kramer S, Fenner K.

Nucleic Acids Res. 2016 Jan 4;44(D1):D502-8. doi: 10.1093/nar/gkv1229. Epub 2015 Nov 17.

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