DOI: 10.1016/s0169-409x(02)00012-1. Computer systems for the prediction of toxicity: an update

Computer systems for the prediction of toxicity: an update

10.1016/s0169-409x(02)00012-1

Crossref journal-article

Elsevier BV

Advanced Drug Delivery Reviews (78)

Bibliography

Greene, N. (2002). Computer systems for the prediction of toxicity: an update. Advanced Drug Delivery Reviews, 54(3), 417â431.

Authors 1

Nigel Greene (first)

References 43 Referenced 160

10.1006/meth.1998.0583 / Methods Enzymol. / Quantitative structure-based modeling applied to characterization and prediction of chemical toxicity; Methods: A Companion to Methods in Enzymology by Benigni (1998)
{'key': '10.1016/S0169-409X(02)00012-1_BIB2', 'series-title': 'Comprehensive Medicinal Chemistry', 'first-page': '497', 'author': 'Fujita', 'year': '1990'} / Comprehensive Medicinal Chemistry by Fujita (1990)
{'year': '1984', 'series-title': 'Theoretical Drug Design Methods', 'author': 'Franke', 'key': '10.1016/S0169-409X(02)00012-1_BIB3'} / Theoretical Drug Design Methods by Franke (1984)
http://www.chem.leeds.ac.uk/luk/
{'key': '10.1016/S0169-409X(02)00012-1_BIB5', 'first-page': '299', 'article-title': 'Knowledge-based expert systems for toxicity prediction: DEREK, StAR and METEOR, SAR QSAR', 'volume': '10', 'author': 'Greene', 'year': '1998', 'journal-title': 'Environ. Res.'} / Environ. Res. / Knowledge-based expert systems for toxicity prediction: DEREK, StAR and METEOR, SAR QSAR by Greene (1998)
10.1016/0300-483X(95)03190-Q / Toxicology / Computer prediction of possible toxic action from chemical structure: an update on the DEREK system by Ridings (1996)
10.1177/096032719101000405 / Hum. Exp. Toxicol. / Computer prediction of possible toxic action from chemical structure: The DEREK system by Sanderson (1991)
10.1111/j.1467-8640.1995.tb00025.x / Comput. Int. / A logic of argumentation for reasoning under uncertainty by Krause (1995)
{'key': '10.1016/S0169-409X(02)00012-1_BIB9', 'first-page': '223', 'article-title': 'The development and validation of expert systems for predicting toxicity', 'volume': '25', 'author': 'Dearden', 'year': '1997', 'journal-title': 'ATLA'} / ATLA / The development and validation of expert systems for predicting toxicity by Dearden (1997)
http://www.compudrug.com/
{'key': '10.1016/S0169-409X(02)00012-1_BIB11', 'series-title': 'Food Safety Assessment', 'first-page': '191', 'article-title': 'HazardExpert: an expert system for predicting chemical toxicity', 'author': 'Smithing', 'year': '1992'} / Food Safety Assessment / HazardExpert: an expert system for predicting chemical toxicity by Smithing (1992)
{'key': '10.1016/S0169-409X(02)00012-1_BIB12', 'first-page': '91', 'article-title': 'The safety evaluation of drugs and chemicals by the use of computer optimized molecular parametric analysis of chemical toxicity (COMPACT)', 'volume': '18', 'author': 'Parke', 'year': '1990', 'journal-title': 'ATLA'} / ATLA / The safety evaluation of drugs and chemicals by the use of computer optimized molecular parametric analysis of chemical toxicity (COMPACT) by Parke (1990)
{'key': '10.1016/S0169-409X(02)00012-1_BIB13', 'series-title': 'The Cytochromes P450: Structure, Function and Mechanism', 'first-page': '348', 'author': 'Lewis', 'year': '1996'} / The Cytochromes P450: Structure, Function and Mechanism by Lewis (1996)
10.1016/0378-4274(94)90110-4 / Toxicol. Lett. / Molecular modeling of cytochrome CYP1A1: a putative access channel explains the differences in induction potency between the isomers benzo(a)pyrene and benzo(e)pyrene, and 2- and 4-acetylaminofluorene by Lewis (1994)
http://www.multicase.com/
10.1021/ja00336a004 / J. Am. Chem. Soc. / Computer automated structure evaluation of organic molecules by Klopman (1984)
10.1002/qsar.19920110208 / Quant. Struct.-Act. Relatsh. / MULTI-CASE: 1. A hierarchical computer automated structure evaluation program by Klopman (1992)
10.1002/em.2850210212 / Environ. Mol. Mutagen. / Structural relationships between mutagenicity, maximum tolerated dose and carcinogenicity in rodents by Rosenkranz (1993)
10.1016/0027-5107(94)90124-4 / Mutat. Res. / Approaches to SAR in carcinogenesis and mutagenisis, prediction of carcinogenicity/mutagenicity using MULTI-CASE by Klopman (1994)
10.1016/S0027-5107(96)00169-8 / Mutat. Res. / Structure-activity and mechanistic relationships: the effect of chemical overlap on structural overlap in data bases of varying size and composition by Lui (1996)
10.1006/rtph.1998.1259 / Reg. Toxicol. Pharm. / A new highly specific method for predicting the carcinogenic potential of pharmaceuticals in rodents using enhanced MCASE QSAR-ES software by Matthews (1998)
10.1007/s002140050470 / Theor. Chem. Acc. / BT Fan, META 4. Prediction of the metabolism of polycyclic aromatic hydrocarbons by Klopman (1999)
http://www.accelrys.com/
{'key': '10.1016/S0169-409X(02)00012-1_BIB24', 'first-page': '163', 'article-title': 'The future of toxicity prediction with QSAR', 'volume': '6', 'author': 'Enslein', 'year': '1993', 'journal-title': 'In Vitro Toxicol.'} / In Vitro Toxicol. / The future of toxicity prediction with QSAR by Enslein (1993)
10.1021/ci00001a012 / J. Chem. Inf. Comput. Sci. / The electrotopological state: structure information at the atomic level for molecular graphs by Hall (1991)
http://www.scivision.com/
10.1093/mutage/11.5.471 / Mutagenesis / Prediction of Salmonella mutagenicity by Zeiger (1996)
10.1016/S1383-5742(97)00021-5 / Mutat. Res. / The first US National Toxicology Program exercise on the prediction of rodent carcinogenicity: definitive results by Benigni (1997)
10.1016/S0027-5107(98)00068-2 / Mutat. Res. / Structure-based methods for predicting mutagenicity and carcinogenicity: are we there yet? by Richard (1998)
A.M. Richard, R. Benigni, AI and SAR approaches for predicting chemical carcinogenicity: survey and status report. SAR and QSAR. Environ. Res. (2002) in press. (10.1080/10629360290002055)
{'key': '10.1016/S0169-409X(02)00012-1_BIB31', 'series-title': 'Progress in the Reduction, Refinement and Replacement of Animal Experimentation', 'first-page': '469', 'article-title': 'Structure-activity relationships in mutagenesis and carcinogenesis', 'author': 'Benigni', 'year': '2000'} / Progress in the Reduction, Refinement and Replacement of Animal Experimentation / Structure-activity relationships in mutagenesis and carcinogenesis by Benigni (2000)
10.1093/mutage/5.5.425 / Mutagenesis / Prediction of the carcinogenicity in rodents of chemicals currently being tested by the US National Toxicology Program: structure–activity correlations by Rosenkranz (1990)
10.1093/mutage/5.4.305 / Mutagenesis / Prediction of probability of carcinogenicity for a set of ongoing NTP bioassays by Enslein (1990)
10.1093/mutage/5.5.433 / Mutagenesis / A prospective toxicity evaluation (COMPACT) on 40 chemicals currently being tested by the National Toxicology Program by Lewis (1990)
Anonymous, Predicting chemical carcinogenesis in rodents. An international workshop, National Institute of Environmental Health Sciences, Research Triangle Park, NC, USA, 1993.
10.1289/ehp.96104s51001 / Environ. Health Perspect. / The NIEHS predictive-toxicology evaluation project: chemcarcinogenicity bioassay by Bristol (1996)
10.2307/3433564 / Environ. Health Perspect. / Comparison of 17 methods of predicting the carcinogenicity of 30 chemicals by Ashby (1997)
10.2307/3433029 / Environ. Health Perspect. / Prediction of the carcinogenicity of a second group of organic chemicals undergoing carcinogenicity testing by Zhang (1996)
10.2307/3433032 / Environ. Health Perspect. / Prediction of rodent carcinogenicity using the DEREK system for 30 chemicals currently being tested by the National Toxicology Program by Marchant (1996)
10.2307/3433025 / Environ. Health Perspect. / COMPACT and molecular structure in toxicity assessment: a prospective evaluation of 30 chemicals currently being tested for rodent carcinogenicity by the NCI/NTP by Lewis (1996)
10.1080/10590509709373494 / Environ. Carcinogen. Ecotoxicol. Rev. / Mechanism-based structure–activity relationship (SAR) analysis of carcinogenic potential of 30 NTP test chemicals by Woo (1997)
G.M. Pearl, Integration of multiple computational models as a sentinel filter for predicting drug safety liabilities, presented at IBC In silico Technologies in Drug Discovery, Bethesda, MA, 21–23 May 2001. (10.2174/1568026013395074)
R. Mueller, Application of computer-assisted (in silico) approaches for ADME and toxicity prediction, presented at IBC In silico Technologies in Drug Discovery, Bethesda, MA, 21–23 May 2001.

Dates

Type	When
Created	23 years, 1 month ago (July 25, 2002, 10:20 a.m.)
Deposited	6 years, 4 months ago (April 28, 2019, 7:51 a.m.)
Indexed	3 weeks, 5 days ago (Aug. 6, 2025, 8:25 a.m.)
Issued	23 years, 6 months ago (March 1, 2002)
Published	23 years, 6 months ago (March 1, 2002)
Published Print	23 years, 6 months ago (March 1, 2002)

Funders 0

None

BibTeX

@article{Greene_2002, title={Computer systems for the prediction of toxicity: an update}, volume={54}, ISSN={0169-409X}, url={http://dx.doi.org/10.1016/s0169-409x(02)00012-1}, DOI={10.1016/s0169-409x(02)00012-1}, number={3}, journal={Advanced Drug Delivery Reviews}, publisher={Elsevier BV}, author={Greene, Nigel}, year={2002}, month=mar, pages={417–431} }

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