-
1
-
-
0031698019
-
Quantitative structure-based modeling applied to characterization and prediction of chemical toxicity
-
Benigni A, Richard A. 1998. Quantitative structure-based modeling applied to characterization and prediction of chemical toxicity. Methods Enzymol. 14: 264-276.
-
(1998)
Methods Enzymol.
, vol.14
, pp. 264-276
-
-
Benigni, A.1
Richard, A.2
-
2
-
-
0037204541
-
Computer systems for the prediction of toxicity: An update
-
Greene N. 2002. Computer systems for the prediction of toxicity: An update. Adv. Drug Deliv. Rev. 54 (3): 417-431.
-
(2002)
Adv. Drug Deliv. Rev.
, vol.54
, Issue.3
, pp. 417-431
-
-
Greene, N.1
-
3
-
-
0042355457
-
In silico prediction of drug toxicity
-
Dearden JC. 2003. In silico prediction of drug toxicity. J. Comput. Aided Mol. Des. 17 (2-4): 119-127.
-
(2003)
J. Comput. Aided Mol. Des.
, vol.17
, Issue.2-4
, pp. 119-127
-
-
Dearden, J.C.1
-
4
-
-
0033935598
-
The practice of structure activity relationships (SAR) in toxicology
-
McKinney JD, Richard A, Waller C, et al. 2000. The practice of structure activity relationships (SAR) in toxicology. Toxicol. Sci. 56 (1): 8-17.
-
(2000)
Toxicol. Sci.
, vol.56
, Issue.1
, pp. 8-17
-
-
McKinney, J.D.1
Richard, A.2
Waller, C.3
-
5
-
-
77953213503
-
Quantitative Structure-Activity Relationship (QSAR) Models of Mutagens and Carcinogens
-
CRC Press, Boca Raton, FL
-
Benigni R, ed. 2003. Quantitative Structure-Activity Relationship (QSAR) Models of Mutagens and Carcinogens. CRC Press, Boca Raton, FL.
-
(2003)
-
-
Benigni, R.1
-
6
-
-
0022400101
-
Fundamental structural alerts to potential carcinogenicity or noncarcinogenicity
-
Ashby J. 1985. Fundamental structural alerts to potential carcinogenicity or noncarcinogenicity. Environ. Mutagen. 7: 919-921.
-
(1985)
Environ. Mutagen.
, vol.7
, pp. 919-921
-
-
Ashby, J.1
-
7
-
-
0023856614
-
Chemical structure, Salmonella mutagenicity and extent of carcinogenicity as indicators of genotoxic carcinogenesis among 222 chemicals tested in rodents by the U.S
-
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 U.S. NCI/NTP. Mutat. Res. 204: 17-115.
-
(1988)
NCI/NTP. Mutat. Res.
, vol.204
, pp. 17-115
-
-
Ashby, J.1
Tennant, R.W.2
-
8
-
-
13844318663
-
Classification according to chemical structure, mutagenicity to Salmonella and level of carcinogenicity of a further 39 chemicals tested for carcinogenicity by the U.S
-
Tennant RW, Ashby J. 1991. Classification according to chemical structure, mutagenicity to Salmonella and level of carcinogenicity of a further 39 chemicals tested for carcinogenicity by the U.S. National Toxicology Program. Mutat. Res. 257: 209-227.
-
(1991)
National Toxicology Program. Mutat. Res.
, vol.257
, pp. 209-227
-
-
Tennant, R.W.1
Ashby, J.2
-
9
-
-
0000973407
-
Definitive relationships among chemical structure, carcinogenicity and mutagenicity for 301 chemicals tested by the U.S
-
Ashby J, Tennant RW. Definitive relationships among chemical structure, carcinogenicity and mutagenicity for 301 chemicals tested by the U.S. NTP. Mutat. Res. 257: 229-306.
-
NTP. Mutat. Res.
, vol.257
, pp. 229-306
-
-
Ashby, J.1
Tennant, R.W.2
-
10
-
-
12144257810
-
Derivation and validation of toxicophores for mutagenicity prediction
-
Kazius J, McGuire R, Bursi R. 2005. Derivation and validation of toxicophores for mutagenicity prediction. J. Med. Chem. 48: 312-320.
-
(2005)
J. Med. Chem.
, vol.48
, pp. 312-320
-
-
Kazius, J.1
McGuire, R.2
Bursi, R.3
-
11
-
-
40949112779
-
Understanding genetic toxicity through data mining: the process of building knowledge by integrating multiple genetic toxicity databases
-
Yang C, Hasselgren C, Boyer S, Arvidson K, Aveston S, Dierkes P, Benigni R, Benz RD, Contrera J, Kruhlak NL, Matthews EJ, Han X, Jaworska J, Kemper RA, Rathman JF, Richard AM. 2008. Understanding genetic toxicity through data mining: the process of building knowledge by integrating multiple genetic toxicity databases. Toxicol. Mech. Methods 18 (2-3): 277-295.
-
(2008)
Toxicol. Mech. Methods
, vol.18
, Issue.2-3
, pp. 277-295
-
-
Yang, C.1
Hasselgren, C.2
Boyer, S.3
Arvidson, K.4
Aveston, S.5
Dierkes, P.6
Benigni, R.7
Benz, R.D.8
Contrera, J.9
Kruhlak, N.L.10
Matthews, E.J.11
Han, X.12
Jaworska, J.13
Kemper, R.A.14
Rathman, J.F.15
Richard, A.M.16
-
12
-
-
55849151593
-
Guideline on the Limits of Genotoxic Impurities
-
EMA, CPMP/SWP/5199/02, EMEA/CHMP/QWP/251344/2006. Jan
-
EMA. 2007. Guideline on the Limits of Genotoxic Impurities, CPMP/SWP/5199/02, EMEA/CHMP/QWP/251344/2006. Jan.
-
(2007)
-
-
-
13
-
-
84886175110
-
FDA Draft Guidance, Guidance for Industry
-
FDA, Genotoxic and Carcinogenic Impurities in Drug Substances and Products: Recommended Approaches, posted December 2008
-
FDA. 2008. FDA Draft Guidance, Guidance for Industry, Genotoxic and Carcinogenic Impurities in Drug Substances and Products: Recommended Approaches, posted December 2008.
-
(2008)
-
-
-
14
-
-
0032619762
-
Knowledge-based expert systems for toxicity and metabolism prediction: DEREK, StAR, and METEOR
-
Greene N, Judson PN, Langowski JJ, Marchant CA. 1999. Knowledge-based expert systems for toxicity and metabolism prediction: DEREK, StAR, and METEOR. SAR QSAR Environ. Res. 10: 299-313.
-
(1999)
SAR QSAR Environ. Res.
, vol.10
, pp. 299-313
-
-
Greene, N.1
Judson, P.N.2
Langowski, J.J.3
Marchant, C.A.4
-
15
-
-
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. Hum. Exp. Toxicol. 10: 261-273.
-
(1991)
Hum. Exp. Toxicol.
, vol.10
, pp. 261-273
-
-
Sanderson, D.M.1
Earnshaw, C.G.2
-
16
-
-
0030048695
-
Computer prediction of possible toxic action from chemical structure: An update on the DEREK system
-
Ridings JE, Barratt MD, Cary R, et al. 1996. Computer prediction of possible toxic action from chemical structure: An update on the DEREK system. Toxicology 106: 267-279.
-
(1996)
Toxicology
, vol.106
, pp. 267-279
-
-
Ridings, J.E.1
Barratt, M.D.2
Cary, R.3
-
17
-
-
84886220051
-
-
LHASA Website. Available at, accessed September 20
-
LHASA Website. Available at http://www.lhasalimited.org (accessed September 20, 2010).
-
(2010)
-
-
-
18
-
-
0029052744
-
Using DEREK to predict the activity of some carcinogens and mutagens found in foods
-
Long A, Combes RD. 1995. Using DEREK to predict the activity of some carcinogens and mutagens found in foods. Toxicol. in Vitro 9: 563-569.
-
(1995)
Toxicol. in Vitro
, vol.9
, pp. 563-569
-
-
Long, A.1
Combes, R.D.2
-
19
-
-
84883463851
-
Validating alerts in Derek for Windows presented at SCARLET Workshop on In Silico Methods for Carcinogenicity & Mutagenicity
-
April 2-4, 2008, Milan, Italy
-
Williams RV, Marchant CA, Covey-Crump EM, et al. 2008. Validating alerts in Derek for Windows presented at SCARLET Workshop on In Silico Methods for Carcinogenicity & Mutagenicity. April 2-4, 2008, Milan, Italy.
-
(2008)
-
-
Williams, R.V.1
Marchant, C.A.2
Covey-Crump, E.M.3
-
20
-
-
84883456890
-
Validating Alerts for the Prediction of Mutagenicity Presented at SOT 47th Annual Meeting
-
16th-20th March 2008, Washington, USA
-
Marchant CA, Covey-Crump EM, Elizabeth M, et al. 2008. Validating Alerts for the Prediction of Mutagenicity Presented at SOT 47th Annual Meeting. 16th-20th March 2008, Washington, USA.
-
(2008)
-
-
Marchant, C.A.1
Covey-Crump, E.M.2
Elizabeth, M.3
-
21
-
-
40949161450
-
In Silico tools for sharing data and knowledge on toxicity and metabolism: Derek for Windows, Meteor, and Vitic
-
Marchant CA, Briggs K, Long A. 2008. In Silico tools for sharing data and knowledge on toxicity and metabolism: Derek for Windows, Meteor, and Vitic. Toxicol. Mechan. Methods. 18 (2 & 3): 177-187.
-
(2008)
Toxicol. Mechan. Methods.
, vol.18
, Issue.2-3
, pp. 177-187
-
-
Marchant, C.A.1
Briggs, K.2
Long, A.3
-
22
-
-
23944460899
-
Towards the creation of an international toxicology information centre
-
Judson PN, Cooke PA, Doerrer NG, et al. 2005. Towards the creation of an international toxicology information centre. Toxicology 213 (1-2): 117-128.
-
(2005)
Toxicology
, vol.213
, Issue.1-2
, pp. 117-128
-
-
Judson, P.N.1
Cooke, P.A.2
Doerrer, N.G.3
-
23
-
-
84886142177
-
-
MCASE website, Available at, accessed September 20
-
MCASE website. Available at http://www.multicase.com (accessed September 20, 2010).
-
(2010)
-
-
-
25
-
-
0021529312
-
Artificial intelligence approach to structure-activity studies, computer automated structure evaluation of biological activity of organic molecules
-
Klopmann G. 1984. Artificial intelligence approach to structure-activity studies, computer automated structure evaluation of biological activity of organic molecules. J. Am. Chem. Soc. 106: 7315-7320.
-
(1984)
J. Am. Chem. Soc.
, vol.106
, pp. 7315-7320
-
-
Klopmann, G.1
-
26
-
-
0001848065
-
Computer simulation of physical-chemical properties of organic molecules 1. Molecular system identification
-
Klopman G, Mc Gonigal MJ. 1981. Computer simulation of physical-chemical properties of organic molecules 1. Molecular system identification. Chem. Inf. Comput. Sci. 21: 48.
-
(1981)
Chem. Inf. Comput. Sci.
, vol.21
, pp. 48
-
-
Klopman, G.1
Mc Gonigal, M.J.2
-
27
-
-
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. Toxicol. Pharmacol. 28: 242-264.
-
(1998)
Regul. Toxicol. Pharmacol.
, vol.28
, pp. 242-264
-
-
Matthews, E.J.1
Contrera, J.F.2
-
29
-
-
32544452551
-
An analysis of genetic toxicity, reproductive and developmental toxicity, and carcinogenicity data: I
-
Matthews EJ, Kruhlak N, Cimino MC, et al. 2006. An analysis of genetic toxicity, reproductive and developmental toxicity, and carcinogenicity data: I. Identification of carcinogens using surrogate endpoints. Regul. Toxicol. Pharmacol. 44 (2): 83-96.
-
(2006)
Identification of carcinogens using surrogate endpoints. Regul. Toxicol. Pharmacol.
, vol.44
, Issue.2
, pp. 83-96
-
-
Matthews, E.J.1
Kruhlak, N.2
Cimino, M.C.3
-
30
-
-
84886211896
-
-
Email communication from MCASE as of May 18
-
Email communication from MCASE as of May 18, 2004.
-
(2004)
-
-
-
31
-
-
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. Toxicol. Pharmacol. 28 (3): 242-264.
-
(1998)
Regul. Toxicol. Pharmacol.
, vol.28
, Issue.3
, pp. 242-264
-
-
Matthews, E.J.1
Contrera, J.F.2
-
32
-
-
3242727566
-
Searching for an enhanced predictive tool for mutagenicity
-
Klopman G, Zhu H, Fuller MA, Saiakhov RD. 2004. Searching for an enhanced predictive tool for mutagenicity. SAR QSAR Environ. Res. 15 (4): 251-263.
-
(2004)
SAR QSAR Environ. Res.
, vol.15
, Issue.4
, pp. 251-263
-
-
Klopman, G.1
Zhu, H.2
Fuller, M.A.3
Saiakhov, R.D.4
-
33
-
-
84886129080
-
-
Accelrys website. Available at, accessed September 20
-
Accelrys website. Available at http://accelrys.com/(accessed September 20, 2010).
-
(2010)
-
-
-
34
-
-
0022636023
-
Shape indices of orders one and three from molecular graphs
-
Kier LB. 1986. Shape indices of orders one and three from molecular graphs. Quant. Struct. Activ. Relat. 5: 1-7.
-
(1986)
Quant. Struct. Activ. Relat.
, vol.5
, pp. 1-7
-
-
Kier, L.B.1
-
35
-
-
33751499087
-
The electrotopological state: Structure information at the atomic level
-
Hall LH, Mohney B, Kier LB. 1991. The electrotopological state: Structure information at the atomic level. J. Chem. Inf. Comput. Sci. 31: 76-82.
-
(1991)
J. Chem. Inf. Comput. Sci.
, vol.31
, pp. 76-82
-
-
Hall, L.H.1
Mohney, B.2
Kier, L.B.3
-
36
-
-
33645866459
-
The application of structure-based assessment to support safety and chemistry diligence to manage genotoxic impurities in active pharmaceutical ingredients during drug development
-
Dobo K, Greene W, Cyr MO, et al. 2006. The application of structure-based assessment to support safety and chemistry diligence to manage genotoxic impurities in active pharmaceutical ingredients during drug development. Regul. Toxicol. Pharmacol. 44: 282-293.
-
(2006)
Regul. Toxicol. Pharmacol.
, vol.44
, pp. 282-293
-
-
Dobo, K.1
Greene, W.2
Cyr, M.O.3
-
37
-
-
0342288641
-
Interpretation of the biological relevance of genotoxicity test results: The importance of thresholds
-
Kirkland DL, Muller L. 2000. Interpretation of the biological relevance of genotoxicity test results: The importance of thresholds. Mutat. Res. 464: 137-147.
-
(2000)
Mutat. Res.
, vol.464
, pp. 137-147
-
-
Kirkland, D.L.1
Muller, L.2
-
38
-
-
67650752112
-
An update on the genotoxicity and carcinogenicity of marketed pharmaceuticals with reference to in silico predictivity
-
Synder R. 2009. An update on the genotoxicity and carcinogenicity of marketed pharmaceuticals with reference to in silico predictivity. Environ. Molec. Mutagen. 50 (6): 435-450.
-
(2009)
Environ. Molec. Mutagen.
, vol.50
, Issue.6
, pp. 435-450
-
-
Synder, R.1
|