Modeling Oral Rat Chronic Toxicity

Paolo Mazzatorta; Manuel Dominguez Estevez; Myriam Coulet; Benoît Schilter

doi:10.1021/ci8001974

journal article Sep 20, 2008

Modeling Oral Rat Chronic Toxicity

Paolo Mazzatorta Manuel Dominguez Estevez Myriam Coulet Benoît Schilter

Journal of Chemical Information and Modeling Vol. 48 No. 10 pp. 1949-1954 · American Chemical Society (ACS)

View at Publisher Save 10.1021/ci8001974

Topics

No keywords indexed for this article. Browse by subject →

References

36

[1]

Kroes R. Food Chem. Toxicol. (2000) 10.1016/s0278-6915(99)00120-9

[2]

Cronin, M. T. D. (2003)

[3]

Walker J. D. SAR QSAR Environ. Res. (2002) 10.1080/1062936021000020062

[4]

Quantitative Structure-Activity Relationships (QSAR) for Pesticide Regulatory Purposes, 1st ed.; Elsevier Science: May 7, 2007; 532 pp.

[5]

Munro I. C. Food Chem. Toxicol. (1996) 10.1016/s0278-6915(96)00049-x

[6]

Mumtaz M. M. Toxicol. Lett. (1995) 10.1016/0378-4274(95)03365-r

[7]

Venkatapathy R. J. Chem. Inf. Comput. Sci. (2004) 10.1021/ci049903s

[8]

Final Report to the U.S. Environmental Protection Agency; Cincinnati, OH, in fulfillment of Contract No. 68-C4-0006; HDi Inc.: Rochester, NY, 1995.

[9]

Ensle, K. InAdvances in Molecular Toxicology;Reiss, C; Labbe, G; Parvez, H., Eds.VSP:Utrecht, The Netherlands, 1998; pp141−164

[10]

Tilaoui L. QSAR Comb. Sci. (2007) 10.1002/qsar.200610060

[11]

U.S. Environmental Protection Agency.ECOTOX User Guide: ECOTOXicology Database System. Version 4.0; 2006.www.epa.gov/ecotox/(accessed Dec 12, 2006).

[12]

Todeschini R. (2000) 10.1002/9783527613106

[13]

DRAGON for Windows (Software for Molecular Descriptor Calculations),version 5.4 − 2006; Talete srl.

[14]

Leardi R. Chemom. Intell. Lab. Syst. (1998) 10.1016/s0169-7439(98)00051-3

[15]

Van de Voet H. Chemom. Intell. Lab. Syst. (1994) 10.1016/0169-7439(94)85050-x

[16]

Lipnick, R. L.Base-line toxicity predicted by quatitative structure-activity relationships as a probe for molecular mechanism of toxicity. InProbing Bioactive Mechanisms;Magee, P. S.; Henry, D. R.; Block, J. H., Eds.American Chemical Society:Washington, DC, 1989; Vol.413, pp366−389. 10.1021/bk-1989-0413.ch023

[17]

Öberg T. Chem. Res. Toxicol. (2004) 10.1021/tx0498253

[18]

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

Christopher A. Lipinski, Franco Lombardo, Beryl W. Dominy et al.

Advanced Drug Delivery Reviews 1997 10.1016/s0169-409x(96)00423-1

[19]

Martin Y. C. J. Med. Chem. (2005) 10.1021/jm0492002

[20]

Molecular Properties That Influence the Oral Bioavailability of Drug Candidates

Daniel F. Veber, Stephen R. Johnson, Hung-Yuan Cheng et al.

Journal of Medicinal Chemistry 2002 10.1021/jm020017n

[21]

Yoshida F. J. Med. Chem. (2000) 10.1021/jm0000564

[22]

Lu J. J. J. Med. Chem. (2004) 10.1021/jm0306529

[23]

Kitagawa S. Chem. Pharm. Bull (1997) 10.1248/cpb.45.1354

[24]

Potts R. O. Pharm. Res. (1992) 10.1023/a:1015810312465

[25]

Siegel I. A. J. Invest. Dermatol. (1981) 10.1111/1523-1747.ep12525477

[26]

Siegel I. A. Arch. Oral. Biol. (1984) 10.1016/0003-9969(84)90036-0

[27]

Dopp E. Environmental distribution, analysis, and toxicity of organometal(loid) compounds. Crit. Rev. Toxicol. (2004)

[28]

Florea A.-M. BioMetals (2006) 10.1007/s10534-005-4451-x

[29]

Costa L. G. Clin. Chim. Acta (2006) 10.1016/j.cca.2005.10.008

[30]

Kroes R. Food Chem. Toxicol. (2004) 10.1016/j.fct.2003.08.006

[31]

Hansch C. J. Chem. Inf. Comput. Sci. (2003) 10.1021/ci020378b

[32]

Verma R. P. Bioorg. Med. Chem. (2005) 10.1016/j.bmc.2005.01.051

[33]

Hotelling H. Ann. Math. Statist. (1931) 10.1214/aoms/1177732979

[34]

Eriksson L. Environ. Health Perspect. (2003) 10.1289/ehp.5758

[35]

Silverman B. W (1986)

[36]

Jaworska J. ATLA (2005)

Cited By

52

pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures

Douglas E. V. Pires, Tom L. Blundell · 2015

Journal of Medicinal Chemistry

QSAR as a random event: a case of NOAEL

Alla P. Toropova, Andrey A. Toropov · 2014

Environmental Science and Pollution...

Metrics

52

Citations

36

References

Details

Published: Sep 20, 2008
Vol/Issue: 48(10)
Pages: 1949-1954

Authors

P

Paolo Mazzatorta

Department of Quality and Safety, Nestlè Research Center, Vers-Chez-les-Blanc 44, 1000 Lausanne 26, Vaud, Switzerland

M

Manuel Dominguez Estevez

Department of Quality and Safety, Nestlè Research Center, Vers-Chez-les-Blanc 44, 1000 Lausanne 26, Vaud, Switzerland

M

Myriam Coulet

Department of Quality and Safety, Nestlè Research Center, Vers-Chez-les-Blanc 44, 1000 Lausanne 26, Vaud, Switzerland

B

Benoît Schilter

Department of Quality and Safety, Nestlè Research Center, Vers-Chez-les-Blanc 44, 1000 Lausanne 26, Vaud, Switzerland

Cite This Article

Paolo Mazzatorta, Manuel Dominguez Estevez, Myriam Coulet, et al. (2008). Modeling Oral Rat Chronic Toxicity. Journal of Chemical Information and Modeling, 48(10), 1949-1954. https://doi.org/10.1021/ci8001974

Modeling Oral Rat Chronic Toxicity

You May Also Like