-
1
-
-
0023239438
-
Prediction of chemical carcinogenicity in rodents from in vitro genetic toxicity assays
-
Tennant RW, Margolin BH, Shelby MD, Zeiger E, Haseman JK, Spalding J, Caspary W, Resnick M, Stasiewicz S, Anderson B, Minor R. 1987. Prediction of chemical carcinogenicity in rodents from in vitro genetic toxicity assays. Science 236:933-941.
-
(1987)
Science
, vol.236
, pp. 933-941
-
-
Tennant, R.W.1
Margolin, B.H.2
Shelby, M.D.3
Zeiger, E.4
Haseman, J.K.5
Spalding, J.6
Caspary, W.7
Resnick, M.8
Stasiewicz, S.9
Anderson, B.10
Minor, R.11
-
2
-
-
0029912210
-
QSAR studies of mutagens and carcinogens
-
Benigni R, Giuliani A. 1996. QSAR studies of mutagens and carcinogens. Med Res Rev 16(3):267-284.
-
(1996)
Med Res Rev
, vol.16
, Issue.3
, pp. 267-284
-
-
Benigni, R.1
Giuliani, A.2
-
3
-
-
0040914011
-
ρ-σ-π Analysis. A method for the correlation of biological activity and chemical structure
-
Hansch C, Fujita T. 1964. ρ-σ-π Analysis. A method for the correlation of biological activity and chemical structure. J Am Chem Soc 86:1616-1626.
-
(1964)
J Am Chem Soc
, vol.86
, pp. 1616-1626
-
-
Hansch, C.1
Fujita, T.2
-
4
-
-
0026584756
-
The structure activity relationship of carcinogenicity of aromatic hydrocarbons and heterocycles
-
Zhang S, Shusterman AJ, Hansch C. 1992. The structure activity relationship of carcinogenicity of aromatic hydrocarbons and heterocycles. Chem Biol Interact 81:149-180.
-
(1992)
Chem Biol Interact
, vol.81
, pp. 149-180
-
-
Zhang, S.1
Shusterman, A.J.2
Hansch, C.3
-
5
-
-
0026763366
-
Mutagenicity of quinolines in Salmonella typhimurium TA100. A QSAR study based on hydrophobicity and molecular orbital determinants
-
Debnath AK, Lopez de Compadre EL, Hansch C. 1992. Mutagenicity of quinolines in Salmonella typhimurium TA100. A QSAR study based on hydrophobicity and molecular orbital determinants. Mutat Res 280:55-65.
-
(1992)
Mutat Res
, vol.280
, pp. 55-65
-
-
Debnath, A.K.1
Lopez de Compadre, E.L.2
Hansch, C.3
-
6
-
-
0026516590
-
A QSAR investigation of the role of hydrophobicity in regulating mutagenicity in the Ames test: 1. Mutagenicity of aromatic and heteroaromatic amines in Salmonella typhimurium TA98 and TA100
-
Debnath AK, Debnath G, Shusterman AJ, Hansch C. 1992. A QSAR investigation of the role of hydrophobicity in regulating mutagenicity in the Ames test: 1. Mutagenicity of aromatic and heteroaromatic amines in Salmonella typhimurium TA98 and TA100. Environ Mol Mutagen 19:37-52.
-
(1992)
Environ Mol Mutagen
, vol.19
, pp. 37-52
-
-
Debnath, A.K.1
Debnath, G.2
Shusterman, A.J.3
Hansch, C.4
-
7
-
-
0026516591
-
A QSAR investigation of the role of hydrophobicity in regulating mutagenicity in the Ames test: 2 Mutagenicity of aromatic and heteroaromatic nitro chemicals in Salmonella typhimurium TA100
-
Debnath AK, Lopez de Compadre RL, Shustoman AJ, Hansch C. 1992. A QSAR investigation of the role of hydrophobicity in regulating mutagenicity in the Ames test: 2 Mutagenicity of aromatic and heteroaromatic nitro chemicals in Salmonella typhimurium TA100. Environ Mol Mutagen 19:53-70.
-
(1992)
Environ Mol Mutagen
, vol.19
, pp. 53-70
-
-
Debnath, A.K.1
Lopez de Compadre, R.L.2
Shustoman, A.J.3
Hansch, C.4
-
8
-
-
0018825737
-
Mutagenicity of substituted (o-phenylenediamine) platinum dichloride in the Ames test. A QSAR analysis
-
Hansch C, Venger BH, Panthananickal A. 1980. Mutagenicity of substituted (o-phenylenediamine) platinum dichloride in the Ames test. A QSAR analysis. J Med Chem 23:459-461.
-
(1980)
J Med Chem
, vol.23
, pp. 459-461
-
-
Hansch, C.1
Venger, B.H.2
Panthananickal, A.3
-
9
-
-
0028079977
-
QSAR models for both mutagenic potency and activity: Application to nitroarenes and aromatic amines
-
Benigni R, Anreoli C, Giuliani A. 1994. QSAR models for both mutagenic potency and activity: Application to nitroarenes and aromatic amines. Environ Mol Mutagen 24:208-219.
-
(1994)
Environ Mol Mutagen
, vol.24
, pp. 208-219
-
-
Benigni, R.1
Anreoli, C.2
Giuliani, A.3
-
10
-
-
0031904573
-
QSAR models for discriminating between mutagenic and nonmutagenic aromatic and heteroaromatic amines
-
Benigni R, Passerini L, Gallo G, Giorgi F, Cotta-Ramusino M. 1998. QSAR models for discriminating between mutagenic and nonmutagenic aromatic and heteroaromatic amines. Environ Mol Mutagen 2:75-83.
-
(1998)
Environ Mol Mutagen
, vol.2
, pp. 75-83
-
-
Benigni, R.1
Passerini, L.2
Gallo, G.3
Giorgi, F.4
Cotta-Ramusino, M.5
-
11
-
-
0002082587
-
Cancer risk reduction through mechanism-based molecular design of chemicals
-
De Vito SC, Garrett RL, eds. American Chemical Society, Washington, DC, USA
-
Lai DY, Woo Y-T, Argus MF, Arcos JC. 1996. Cancer risk reduction through mechanism-based molecular design of chemicals. In De Vito SC, Garrett RL, eds, Designing Safer Chemicals. Green Chemistry for Pollution Prevention. American Chemical Society, Washington, DC, USA, pp 62-73.
-
(1996)
Designing Safer Chemicals. Green Chemistry for Pollution Prevention
, pp. 62-73
-
-
Lai, D.Y.1
Woo, Y.-T.2
Argus, M.F.3
Arcos, J.C.4
-
12
-
-
0034301460
-
Quantitative structure-activity relationships of mutagenic and carcinogenic aromatic amines
-
Benigni R, Guiliani A, Franke R, Gruska A. 2000. Quantitative structure-activity relationships of mutagenic and carcinogenic aromatic amines. Chem Rev 100:3697-3714.
-
(2000)
Chem Rev
, vol.100
, pp. 3697-3714
-
-
Benigni, R.1
Guiliani, A.2
Franke, R.3
Gruska, A.4
-
13
-
-
0024947220
-
Aromatic amines and acetamides in Salmonella typhimurium TA98 and TA100: A QSAR relation study
-
Trieff NM, Biagi GL, Ramanujam VMS, Connor TH, Cantelli-Forti G, Guerra MC, Bunce III HB, Legator MS. 1989. Aromatic amines and acetamides in Salmonella typhimurium TA98 and TA100: A QSAR relation study. Journal of Molecular Toxicology 2:53-65.
-
(1989)
Journal of Molecular Toxicology
, vol.2
, pp. 53-65
-
-
Trieff, N.M.1
Biagi, G.L.2
Ramanujam, V.M.S.3
Connor, T.H.4
Cantelli-Forti, G.5
Guerra, M.C.6
Bunce H.B. III7
Legator, M.S.8
-
14
-
-
0026512204
-
Relative stabilities of nitrenium ions derived from heterocyclic amine food-Relationship to mutagenicity
-
Ford GP, Griffin GR. 1992. Relative stabilities of nitrenium ions derived from heterocyclic amine food-Relationship to mutagenicity. Chem Biol Interact 81:19-33.
-
(1992)
Chem Biol Interact
, vol.81
, pp. 19-33
-
-
Ford, G.P.1
Griffin, G.R.2
-
15
-
-
0026584188
-
Relative stabilities of nitrenium ions derived from polycyclic aromatic amines-Relationship to mutagenicity
-
Ford GP, Hermans PS. 1992. Relative stabilities of nitrenium ions derived from polycyclic aromatic amines-Relationship to mutagenicity. Chem Biol Interact 81:1-18.
-
(1992)
Chem Biol Interact
, vol.81
, pp. 1-18
-
-
Ford, G.P.1
Hermans, P.S.2
-
16
-
-
0029088410
-
Predicting mutagenicity of chemicals using topological and quantum chemical parameters: A similarity based study
-
Basak SC, Grunwald GD. 1995. Predicting mutagenicity of chemicals using topological and quantum chemical parameters: A similarity based study. Chemosphere 31:2529-2546.
-
(1995)
Chemosphere
, vol.31
, pp. 2529-2546
-
-
Basak, S.C.1
Grunwald, G.D.2
-
17
-
-
0026022636
-
QSARs of heterocyclic amine mutagens formed during the cooking of food
-
Hatch FT, Knize MG, Felton JS. 1991. QSARs of heterocyclic amine mutagens formed during the cooking of food. Environ Mol Mutagen 17:4-19.
-
(1991)
Environ Mol Mutagen
, vol.17
, pp. 4-19
-
-
Hatch, F.T.1
Knize, M.G.2
Felton, J.S.3
-
18
-
-
0033043476
-
A comprehensive QSAR treatment of the genotoxicity of heteroaromatic and aromatic amines
-
Maran U, Karelson M, Katritzky AR. 1999. A comprehensive QSAR treatment of the genotoxicity of heteroaromatic and aromatic amines. QSAR 18:3-10.
-
(1999)
QSAR
, vol.18
, pp. 3-10
-
-
Maran, U.1
Karelson, M.2
Katritzky, A.R.3
-
19
-
-
0001445293
-
QSAR studies on anticancer drugs
-
Gupta SP. 1994. QSAR studies on anticancer drugs. Chem Rev 94:1507-1551.
-
(1994)
Chem Rev
, vol.94
, pp. 1507-1551
-
-
Gupta, S.P.1
-
20
-
-
0033932213
-
Mutagenicity studies of benzidine and its analogs: Structure-activity relationships
-
Chung KT, Chen SC, Wong TY, Li YS, Wei CI, Chou MW. 2000. Mutagenicity studies of benzidine and its analogs: Structure-activity relationships. Toxicol Sci 56:351-356.
-
(2000)
Toxicol Sci
, vol.56
, pp. 351-356
-
-
Chung, K.T.1
Chen, S.C.2
Wong, T.Y.3
Li, Y.S.4
Wei, C.I.5
Chou, M.W.6
-
21
-
-
17444444731
-
Toxicity prediction of chemicals based on structure activity relationships
-
Nakadate M. 1998. Toxicity prediction of chemicals based on structure activity relationships. Toxicol Lett 102-103:627-629.
-
(1998)
Toxicol Lett
, vol.102-103
, pp. 627-629
-
-
Nakadate, M.1
-
23
-
-
0027406601
-
The influence of chemical-structure on the extent and sites of carcinogenesis for 522 rodent carcinogens and 55 different human carcinogen exposures
-
Ashby J, Paton D. 1993. The influence of chemical-structure on the extent and sites of carcinogenesis for 522 rodent carcinogens and 55 different human carcinogen exposures. Mutat Res 286(1):3-74.
-
(1993)
Mutat Res
, vol.286
, Issue.1
, pp. 3-74
-
-
Ashby, J.1
Paton, D.2
-
24
-
-
0026328965
-
Carcinogenicity evaluation and ongoing studies: The IARC databases
-
Vainio H, Coleman, Wilbourn J. 1991. Carcinogenicity evaluation and ongoing studies: The IARC databases. Environ Health Perspect 96:5-9.
-
(1991)
Environ Health Perspect
, vol.96
, pp. 5-9
-
-
Vainio, H.1
Coleman2
Wilbourn, J.3
-
26
-
-
0030569257
-
QSARs of mutagens and carcinogens: Two case studies illustrating problems in the construction of models for noncongeneric chemicals
-
Benigni R, Richard AM. 1996. QSARs of mutagens and carcinogens: Two case studies illustrating problems in the construction of models for noncongeneric chemicals. Mutat Res 371:29-46.
-
(1996)
Mutat Res
, vol.371
, pp. 29-46
-
-
Benigni, R.1
Richard, A.M.2
-
27
-
-
0028084567
-
Two million rodent carcinogens? The role of SAR and QSAR in their detection
-
Ashby J. 1994. Two million rodent carcinogens? The role of SAR and QSAR in their detection. Mutat Res 305:3-12.
-
(1994)
Mutat Res
, vol.305
, pp. 3-12
-
-
Ashby, J.1
-
28
-
-
0023856614
-
Chemical structure, Salmonella mutagenicity and extent of carcinogenicity as indicators of genotoxic carcinogenesis among 222 chemicals tested in rodents by the US NCI/NTP
-
Ashby J, Tennant RW. 1988. Chemical structure, Salmonella mutagenicity and extent of carcinogenicity as indicators of genotoxic carcinogenesis among 222 chemicals tested in rodents by the US NCI/NTP. Mutat Res 204:17-115.
-
(1988)
Mutat Res
, vol.204
, pp. 17-115
-
-
Ashby, J.1
Tennant, R.W.2
-
29
-
-
0001383515
-
Development and validation of expert systems for predicting toxicity
-
Dearden JC, Barratt MO, Benigni R, Bristol DW, Combes RD, Cronin MTO, Judson PN, Payne MP, Richard AM, Tichy M, Worth AP, Yourick JJ. 1997. Development and validation of expert systems for predicting toxicity. ATLA 25:223-252.
-
(1997)
ATLA
, vol.25
, pp. 223-252
-
-
Dearden, J.C.1
Barratt, M.O.2
Benigni, R.3
Bristol, D.W.4
Combes, R.D.5
Cronin, M.T.O.6
Judson, P.N.7
Payne, M.P.8
Richard, A.M.9
Tichy, M.10
Worth, A.P.11
Yourick, J.J.12
-
30
-
-
0029586108
-
QSAR in toxicology. Prediction of non-lethal mammalian toxicological endpoints and expert systems for toxicity prediction
-
Cronin MTD, Dearden JC. 1995. QSAR in toxicology. Prediction of non-lethal mammalian toxicological endpoints and expert systems for toxicity prediction. QSAR 14:518-523.
-
(1995)
QSAR
, vol.14
, pp. 518-523
-
-
Cronin, M.T.D.1
Dearden, J.C.2
-
31
-
-
0001421887
-
HazardExpert - An expert system for predicting chemical toxicity
-
Smithing MP, Darvas F. 1992. HazardExpert - An expert system for predicting chemical toxicity. ACS Symposium Series 484:191-200.
-
(1992)
ACS Symposium Series
, vol.484
, pp. 191-200
-
-
Smithing, M.P.1
Darvas, F.2
-
32
-
-
0025863682
-
Computer prediction of possible toxic action from chemical structure: The DEREK system
-
Sanderson DM, Earnshaw CG. 1991. Computer prediction of possible toxic action from chemical structure: The DEREK system. Human Exp Toxicol 10:261-273.
-
(1991)
Human Exp Toxicol
, vol.10
, pp. 261-273
-
-
Sanderson, D.M.1
Earnshaw, C.G.2
-
33
-
-
0023149173
-
Computer-assisted structure-activity relationships of nitrogenous cyclic chemicals tested in Salmonella assays for mutagenicity
-
Walsh DB, Claxton LD. 1987. Computer-assisted structure-activity relationships of nitrogenous cyclic chemicals tested in Salmonella assays for mutagenicity. Mutat Res 182:55-64.
-
(1987)
Mutat Res
, vol.182
, pp. 55-64
-
-
Walsh, D.B.1
Claxton, L.D.2
-
34
-
-
0022272079
-
Computer assisted studies of molecular structure and genotoxic activity by pattern recognition techniques
-
Stouch TR, Jurs PC. 1985. Computer assisted studies of molecular structure and genotoxic activity by pattern recognition techniques. Environ Health Perspect 61:329-343.
-
(1985)
Environ Health Perspect
, vol.61
, pp. 329-343
-
-
Stouch, T.R.1
Jurs, P.C.2
-
35
-
-
0019498856
-
Computer-assisted structure-activity studies of chemical carcinogens. Aromatic amines
-
Yuta K, Jurs PC. 1981. Computer-assisted structure-activity studies of chemical carcinogens. Aromatic amines. J Med Chem 24:241-251.
-
(1981)
J Med Chem
, vol.24
, pp. 241-251
-
-
Yuta, K.1
Jurs, P.C.2
-
36
-
-
0021529312
-
Artificial intelligence approach to structure-activity studies. Computer automated structure evaluation of biological activity of organic molecules
-
Klopman G. 1984. Artificial intelligence approach to structure-activity studies. Computer automated structure evaluation of biological activity of organic molecules. J Am Chem Soc 106:7315-7321.
-
(1984)
J Am Chem Soc
, vol.106
, pp. 7315-7321
-
-
Klopman, G.1
-
37
-
-
0027526360
-
Structural basis of the mutagenicity of heterocyclic amines formed during the cooking processes
-
Zhang YP, Klopman G, Rosenkranz HS. 1993. Structural basis of the mutagenicity of heterocyclic amines formed during the cooking processes. Environ Mol Mutagen 21:100-115.
-
(1993)
Environ Mol Mutagen
, vol.21
, pp. 100-115
-
-
Zhang, Y.P.1
Klopman, G.2
Rosenkranz, H.S.3
-
38
-
-
0027953623
-
The structural basis of the genotoxicity of nitroarenofurans and related chemicals
-
Mersch-Sunderman V, Rosenkranz HS, Klopman G. 1994. The structural basis of the genotoxicity of nitroarenofurans and related chemicals. Mutat Res 304:271-284.
-
(1994)
Mutat Res
, vol.304
, pp. 271-284
-
-
Mersch-Sunderman, V.1
Rosenkranz, H.S.2
Klopman, G.3
-
39
-
-
0028157137
-
Approaches to SAR in carcinogenesis and mutagenesis. Prediction of carcinogenicity/mutagenicity using Multicase
-
Klopman G, Rosenkranz H. 1994. Approaches to SAR in carcinogenesis and mutagenesis. Prediction of carcinogenicity/mutagenicity using Multicase. Mutat Res 305:33-46.
-
(1994)
Mutat Res
, vol.305
, pp. 33-46
-
-
Klopman, G.1
Rosenkranz, H.2
-
40
-
-
0032458218
-
A new highly specific method for predicting the carcinogenic potential of pharmaceuticals in rodents using enhanced MCASE QSAR-ES software
-
Matthews EJ, Contrera JF. 1998. A new highly specific method for predicting the carcinogenic potential of pharmaceuticals in rodents using enhanced MCASE QSAR-ES software. Regul Tox Pharmacol 28:242-264.
-
(1998)
Regul Tox Pharmacol
, vol.28
, pp. 242-264
-
-
Matthews, E.J.1
Contrera, J.F.2
-
41
-
-
0027954402
-
Use of SAR in computer assisted prediction and mutagenicity of chemicals by the TOPKAT program
-
Enslein K, Gombar VK, Blake BW. 1994. Use of SAR in computer assisted prediction and mutagenicity of chemicals by the TOPKAT program. Mutat Res 305:47-61.
-
(1994)
Mutat Res
, vol.305
, pp. 47-61
-
-
Enslein, K.1
Gombar, V.K.2
Blake, B.W.3
-
42
-
-
0035144211
-
Evaluation of the TOPKAT system for predicting the carcinogenicity of chemicals
-
Prival MJ. 2001. Evaluation of the TOPKAT system for predicting the carcinogenicity of chemicals. Environ Mol Mutagen 37:55-69.
-
(2001)
Environ Mol Mutagen
, vol.37
, pp. 55-69
-
-
Prival, M.J.1
-
43
-
-
0030941637
-
Computational predictive programs (expert systems) in toxicology
-
Benfenati E, Gini G. 1997. Computational predictive programs (expert systems) in toxicology. Toxicology 119:213-225.
-
(1997)
Toxicology
, vol.119
, pp. 213-225
-
-
Benfenati, E.1
Gini, G.2
-
44
-
-
0031785668
-
A combined COMPACT and HazardExpert study of 40 chemicals for which information on mutagenicity and carcinogenicity is known, including the results if human epidemiological studies
-
Lewis DFV, Ioannides C, Parke DV. 1998. A combined COMPACT and HazardExpert study of 40 chemicals for which information on mutagenicity and carcinogenicity is known, including the results if human epidemiological studies. Hum Exp Toxicol 17:577-586.
-
(1998)
Hum Exp Toxicol
, vol.17
, pp. 577-586
-
-
Lewis, D.F.V.1
Ioannides, C.2
Parke, D.V.3
-
45
-
-
0029792158
-
Prediction of Salmonella mutagenicity
-
Zeiger E, Ashby J, Bakale G, Enslein K, Klopman G, Rosenkranz HS. 1996. Prediction of Salmonella mutagenicity. Mutagenesis 11:471-484.
-
(1996)
Mutagenesis
, vol.11
, pp. 471-484
-
-
Zeiger, E.1
Ashby, J.2
Bakale, G.3
Enslein, K.4
Klopman, G.5
Rosenkranz, H.S.6
-
46
-
-
0031458685
-
A computationally based hazard identification algorithm that incorporates ligand flexibility. 1. Identification of potential androgen receptor ligands
-
Mekenyan O, Ivanov J, Karabunarliev S, Bradbury S, Ankley G, Karcher W. 1997. A computationally based hazard identification algorithm that incorporates ligand flexibility. 1. Identification of potential androgen receptor ligands. Environ Sci Technol 31:3702-3711.
-
(1997)
Environ Sci Technol
, vol.31
, pp. 3702-3711
-
-
Mekenyan, O.1
Ivanov, J.2
Karabunarliev, S.3
Bradbury, S.4
Ankley, G.5
Karcher, W.6
-
47
-
-
0033020746
-
New developments in a hazard identification algorithm for hormone receptor ligands
-
Mekenyan O, Nikolova N, Karabunarliev S, Bradbury S, Ankley G, Hansen B. 1999. New developments in a hazard identification algorithm for hormone receptor ligands. Quant Struct-Act Relat 18:139-153.
-
(1999)
Quant Struct-Act Relat
, vol.18
, pp. 139-153
-
-
Mekenyan, O.1
Nikolova, N.2
Karabunarliev, S.3
Bradbury, S.4
Ankley, G.5
Hansen, B.6
-
48
-
-
0036783199
-
Development and validation of an average mammalian estrogen receptor-based QSAR model
-
in press
-
Mekenyan O, Kamenska V, Serafimova R, Poellinger L, Brower A, Walker JD. 2002. Development and validation of an average mammalian estrogen receptor-based QSAR model. SAR QSAR Environ Res (in press).
-
(2002)
SAR QSAR Environ Res
-
-
Mekenyan, O.1
Kamenska, V.2
Serafimova, R.3
Poellinger, L.4
Brower, A.5
Walker, J.D.6
-
49
-
-
0242300990
-
Identification of the structural requirements for mutagenicity by incorporating molecular flexibility and metabolic activation of chemicals
-
University of Delaware, Newark, DE, USA
-
Serafimova R, Thompson E, Dimitrov S, Nikolova N, Walker JD, Mekenyan OG. 2001. Identification of the structural requirements for mutagenicity by incorporating molecular flexibility and metabolic activation of chemicals. Genetics Toxicology Association Spring 2001 Meeting, Determining Chemical Structure-Mutagenicity Relationships Using Computational Toxicology. University of Delaware, Newark, DE, USA.
-
(2001)
Genetics Toxicology Association Spring 2001 Meeting, Determining Chemical Structure-Mutagenicity Relationships Using Computational Toxicology
-
-
Serafimova, R.1
Thompson, E.2
Dimitrov, S.3
Nikolova, N.4
Walker, J.D.5
Mekenyan, O.G.6
-
50
-
-
0034807089
-
Prediction of rodent carcinogenicity of aromatic amines: A quantitative structure-activity relationships model
-
Franke R, Gruska A, Giuliani A, Benigni R. 2001. Prediction of rodent carcinogenicity of aromatic amines: A quantitative structure-activity relationships model. Carcinogenesis 22:1561-1571.
-
(2001)
Carcinogenesis
, vol.22
, pp. 1561-1571
-
-
Franke, R.1
Gruska, A.2
Giuliani, A.3
Benigni, R.4
|