-
1
-
-
0021231996
-
Domestication of chemistry by design of safer chemicals: Structure-activity relationships
-
Ariens EJ (1984) Domestication of chemistry by design of safer chemicals: Structure-activity relationships. Drug Metab Rev 15:425-504
-
(1984)
Drug Metab Rev
, vol.15
, pp. 425-504
-
-
Ariens, E.J.1
-
2
-
-
0040914011
-
R-s-p Analysis. A method for the correlation of biological activity and chemical structure
-
Hansch C, Fujita T (1964) r-s-p 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
-
3
-
-
0036516054
-
Chem-bioinformatics: Comparative QSAR at the interface between chemistry and biology
-
Hansch C, Hoekman D, Leo A et al (2002) Chem-bioinformatics: Comparative QSAR at the interface between chemistry and biology. Chem Rev 102:783-812
-
(2002)
Chem Rev
, vol.102
, pp. 783-812
-
-
Hansch, C.1
Hoekman, D.2
Leo, A.3
-
4
-
-
0000353230
-
The characterization of chemical structures using molecular properties. A survey
-
Livingstone DJ (2000) The characterization of chemical structures using molecular properties. A survey. J Chem Inf Comput Sci 40:195-209
-
(2000)
J Chem Inf Comput Sci
, vol.40
, pp. 195-209
-
-
Livingstone, D.J.1
-
5
-
-
84984376233
-
New molecular descriptors for 2D and 3D structures. Theory
-
Todeschini R, Lasagni M, Marengo E (1994) New molecular descriptors for 2D and 3D structures. Theory. J Chemom 8:263-272
-
(1994)
J Chemom
, vol.8
, pp. 263-272
-
-
Todeschini, R.1
Lasagni, M.2
Marengo, E.3
-
6
-
-
67650914244
-
Predicting the vapour pressure of chemicals from structure: A comparison of graph theoretic versus quantum chemical descriptors
-
Basak SC, Mills D (2009) Predicting the vapour pressure of chemicals from structure: A comparison of graph theoretic versus quantum chemical descriptors. SAR QSAR Environ Res 20:119-132
-
(2009)
SAR QSAR Environ Res
, vol.20
, pp. 119-132
-
-
Basak, S.C.1
Mills, D.2
-
7
-
-
46349107412
-
Quantum chemical foundation of the topological substructural molecular design
-
Estrada E (2008) Quantum chemical foundation of the topological substructural molecular design. J Phys Chem A 112:5208-5217
-
(2008)
J Phys Chem A
, vol.112
, pp. 5208-5217
-
-
Estrada, E.1
-
8
-
-
73749087238
-
A topological substructural molecular design approach for predicting mutagenesis end points of ab-unsaturated carbonyl compounds
-
Perez-Garrido A, Helguera AM, Lopez GC et al (2010) A topological substructural molecular design approach for predicting mutagenesis end points of ab-unsaturated carbonyl compounds. Toxicology 268:64-77
-
(2010)
Toxicology
, vol.268
, pp. 64-77
-
-
Perez-Garrido, A.1
Helguera, A.M.2
Lopez, G.C.3
-
9
-
-
0019156412
-
Structure-activity analyzed by pattern recognition: The asymmetric case
-
Dunn WJ, Wold S (1980) Structure-activity analyzed by pattern recognition: The asymmetric case. J Med Chem 23:595-599
-
(1980)
J Med Chem
, vol.23
, pp. 595-599
-
-
Dunn, W.J.1
Wold, S.2
-
10
-
-
0028825274
-
Chemometrics-what do we mean with it, and what do we want from it
-
Wold S (1995) Chemometrics-what do we mean with it, and what do we want from it. Chemom Intell Lab Syst 30(1):109-115
-
(1995)
Chemom Intell Lab Syst
, vol.30
, Issue.1
, pp. 109-115
-
-
Wold, S.1
-
11
-
-
0027945214
-
Analysis of linear and nonlinear QSAR data using neural networks
-
Manallack DT, Ellis DD, Livingstone DJ (1994) Analysis of linear and nonlinear QSAR data using neural networks. J Med Chem 37:3758-3767
-
(1994)
J Med Chem
, vol.37
, pp. 3758-3767
-
-
Manallack, D.T.1
Ellis, D.D.2
Livingstone, D.J.3
-
12
-
-
72949101619
-
Interpretation of nonlinear QSAR models applied to Ames mutagenicity data
-
Carlsson L, Helgee EA, Boyer S (2009) Interpretation of nonlinear QSAR models applied to Ames mutagenicity data. J Chem Inf Model 49: 2551-2558
-
(2009)
J Chem Inf Model
, vol.49
, pp. 2551-2558
-
-
Carlsson, L.1
Helgee, E.A.2
Boyer, S.3
-
13
-
-
77954048321
-
Pharmaceutical perspectives of nonlinear QSAR strategies
-
Michielan L, Moro S (2010) Pharmaceutical perspectives of nonlinear QSAR strategies. J Chem Inf Model 50:961-978
-
(2010)
J Chem Inf Model
, vol.50
, pp. 961-978
-
-
Michielan, L.1
Moro, S.2
-
17
-
-
0002906202
-
Hystory and objectives of quantitative drug design
-
Hansch C (ed) Pergamon, Oxford
-
Tute MS (1990) Hystory and objectives of quantitative drug design. In: Hansch C (ed) Comprehensive medicinal chemistry. Pergamon, Oxford, pp 1-31
-
(1990)
Comprehensive Medicinal Chemistry.
, pp. 1-31
-
-
Tute, M.S.1
-
21
-
-
0036179149
-
Use of mechanism-based structure-activity relationships analysis in carcinogenic potential ranking for drinking water disinfection byproducts
-
Woo YT, Lai DY, McLain JL et al (2002) Use of mechanism-based structure-activity relationships analysis in carcinogenic potential ranking for drinking water disinfection byproducts. Environ Health Perspect 110:75-87
-
(2002)
Environ Health Perspect
, vol.110
, pp. 75-87
-
-
Woo, Y.T.1
Lai, D.Y.2
McLain, J.L.3
-
22
-
-
0027230528
-
Predictive strategies for selecting 379 NCI/NTP chemicals evaluated for carcinogenic potential: Scientific and public health impact
-
Fung VA, Huff J, Weisburger EK, Hoel DG (1993) Predictive strategies for selecting 379 NCI/NTP chemicals evaluated for carcinogenic potential: Scientific and public health impact. Fund Appl Toxicol 20:413-436
-
(1993)
Fund Appl Toxicol
, vol.20
, pp. 413-436
-
-
Fung, V.A.1
Huff, J.2
Weisburger, E.K.3
Hoel, D.G.4
-
23
-
-
0032619762
-
Knowledge-based expert systems for toxicity and metabolism prediction: DEREK, StAR and METEOR
-
Greene N, Judson PN, Langowski JJ et al (1999) Knowledge-based expert systems for toxicity and metabolism prediction: DEREK, StAR and METEOR. SAR QSAR Environ Res 10:299-314
-
(1999)
SAR QSAR Environ Res
, vol.10
, pp. 299-314
-
-
Greene, N.1
Judson, P.N.2
Langowski, J.J.3
-
24
-
-
84987846067
-
Oncologic: A mechanism based expert system for predicting the carcinogenic potential of chemicals
-
Helma C (ed) Taylor and Francis, Boca Raton, FL
-
Woo YT, Lai DY (2005) Oncologic: A mechanism based expert system for predicting the carcinogenic potential of chemicals. In: Helma C (ed) Predictive toxicology. Taylor and Francis, Boca Raton, FL, pp 385-413
-
(2005)
Predictive Toxicology.
, pp. 385-413
-
-
Woo, Y.T.1
Lai, D.Y.2
-
25
-
-
0032439450
-
An integrative approach of combining mechanistically complementary short-term predictive tests as a basis for assessing the carcinogenic potential of chemicals
-
Woo YT, Lai DY, Argus MF et al (1998) An integrative approach of combining mechanistically complementary short-term predictive tests as a basis for assessing the carcinogenic potential of chemicals. J Environ Sci Health C: Environ Carcinog Ecotoxicol Rev C16:101-122
-
(1998)
J Environ Sci Health C: Environ Carcinog Ecotoxicol Rev C16
, pp. 101-122
-
-
Woo, Y.T.1
Lai, D.Y.2
Argus, M.F.3
-
26
-
-
73749088210
-
The Benigni/Bossa rulebase for mutagenicity and carcinogenicity-A module of Toxtree
-
Office for the Official Publications of the European Communities, Luxenbourg. EUR-Scientific and Technical Report Series. Ref Type: Report
-
Benigni R, Bossa C, Jeliazkova NG et al (2008) The Benigni/Bossa rulebase for mutagenicity and carcinogenicity-a module of Toxtree. EUR 23241 EN. Office for the Official Publications of the European Communities, Luxenbourg. EUR-Scientific and Technical Report Series. Ref Type: Report
-
(2008)
EUR 23241 EN
-
-
Benigni, R.1
Bossa, C.2
Jeliazkova, N.G.3
-
27
-
-
49849084348
-
Structure alerts for carcinogenicity, and the Salmonella assay system: A novel insight through the chemical relational databases technology
-
Benigni R, Bossa C (2008) Structure alerts for carcinogenicity, and the Salmonella assay system: A novel insight through the chemical relational databases technology. Mutat Res Rev 659:248-261
-
(2008)
Mutat Res Rev
, vol.659
, pp. 248-261
-
-
Benigni, R.1
Bossa, C.2
-
28
-
-
0026321207
-
Structure-activity relationships of chemical mutagens and carcinogens
-
Hansch C (1991) Structure-activity relationships of chemical mutagens and carcinogens. Sci Total Environ 109(110):17-29
-
(1991)
Sci Total Environ
, vol.109
, Issue.110
, pp. 17-29
-
-
Hansch, C.1
-
29
-
-
20044383057
-
Structure-activity relationship studies of chemical mutagens and carcinogens: Mechanistic investigations and prediction approaches
-
Benigni R (2005) Structure-activity relationship studies of chemical mutagens and carcinogens: Mechanistic investigations and prediction approaches. Chem Rev 105:1767-1800
-
(2005)
Chem Rev
, vol.105
, pp. 1767-1800
-
-
Benigni, R.1
-
30
-
-
0027954402
-
Use of SAR in computer-assisted prediction of carcinogenicity and mutagenicity of chemicals by the TOPKAT program
-
Enslein K, Gombar VK, Blake BW (1994) Use of SAR in computer-assisted prediction of carcinogenicity 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
-
31
-
-
0026778110
-
Multicase 1. A hierarchical computer automated structure evaluation program
-
Klopman G (1992) Multicase 1. A hierarchical computer automated structure evaluation program. Quant Struct Act Relat 11:176-184
-
(1992)
Quant Struct Act Relat
, vol.11
, pp. 176-184
-
-
Klopman, G.1
-
33
-
-
33746256602
-
Lazy structure-activity relationships (lazar) for the prediction of rodent carcinogenicity and Salmonella mutagenicity
-
Helma C (2006) Lazy structure-activity relationships (lazar) for the prediction of rodent carcinogenicity and Salmonella mutagenicity. Mol Divers 10:147-158
-
(2006)
Mol Divers
, vol.10
, pp. 147-158
-
-
Helma, C.1
-
34
-
-
0031698019
-
Quantitative structure-based modeling applied to characterization and prediction of chemical toxicity
-
Benigni R, Richard AM (1998) Quantitative structure-based modeling applied to characterization and prediction of chemical toxicity. Methods 14:264-276
-
(1998)
Methods
, vol.14
, pp. 264-276
-
-
Benigni, R.1
Richard, A.M.2
-
35
-
-
77953926461
-
Alternatives to the carcinogenicity bioassay: In silico methods, and the in vitro and in vivo mutagenicity assays
-
Benigni R, Bossa C, Tcheremenskaia O et al (2010) Alternatives to the carcinogenicity bioassay: In silico methods, and the in vitro and in vivo mutagenicity assays. Exp Opin Drug Metab Toxicol 6:1-11
-
(2010)
Exp Opin Drug Metab Toxicol
, vol.6
, pp. 1-11
-
-
Benigni, R.1
Bossa, C.2
Tcheremenskaia, O.3
-
37
-
-
0029586108
-
QSAR in toxicology. 4. Prediction of non-lethal mammalian toxicological end points, and expert systems for toxicity prediction
-
Cronin MTD, Dearden JC (1995) QSAR in toxicology. 4. Prediction of non-lethal mammalian toxicological end points, and expert systems for toxicity prediction. Quant Struct Act Relat 14:518-523
-
(1995)
Quant Struct Act Relat
, vol.14
, pp. 518-523
-
-
Cronin, M.T.D.1
Dearden, J.C.2
-
38
-
-
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 54:417-431
-
(2002)
Adv Drug Deliv Rev
, vol.54
, pp. 417-431
-
-
Greene, N.1
-
39
-
-
0011685925
-
On the predictive value of QSAR
-
Keverling Buisman JA (ed) Elsevier, Amsterdam
-
Hansch C (1977) On the predictive value of QSAR. In: Keverling Buisman JA (ed) Biological activity and chemical structure. Elsevier, Amsterdam
-
(1977)
Biological Activity and Chemical Structure.
-
-
Hansch, C.1
-
40
-
-
0141462446
-
(Q)SARs: Gatekeepers against risk on chemicals?
-
Hulzebos EM, Posthumus R (2003) (Q)SARs: Gatekeepers against risk on chemicals? SAR QSAR Environ Res 14:285-316
-
(2003)
SAR QSAR Environ Res
, vol.14
, pp. 285-316
-
-
Hulzebos, E.M.1
Posthumus, R.2
-
41
-
-
33845984006
-
What works and what does not: Lessons fromexperience in a pharmaceutical company
-
Martin YC (2006) What works and what does not: Lessons fromexperience in a pharmaceutical company. QSAR Combinat Sci 25:1192-1200
-
(2006)
QSAR Combinat Sci
, vol.25
, pp. 1192-1200
-
-
Martin, Y.C.1
-
42
-
-
0035468216
-
Integration of computational analysis as a sentinel tool in toxicologic assessments
-
Pearl GM, Livingstone-Carr S, Durham SK (2001) Integration of computational analysis as a sentinel tool in toxicologic assessments. Curr Top Med Chem 1:247-255
-
(2001)
Curr Top Med Chem
, vol.1
, pp. 247-255
-
-
Pearl, G.M.1
Livingstone-Carr, S.2
Durham, S.K.3
-
43
-
-
0032435458
-
Commercial toxicology prediction systems: A regulatory perspective
-
Richard AM (1998) Commercial toxicology prediction systems: A regulatory perspective. Toxicol Lett 102-103:611-616
-
(1998)
Toxicol Lett
, vol.102-103
, pp. 611-616
-
-
Richard, A.M.1
-
44
-
-
2442548465
-
Assessment of the sensitivity of the computational programs DEREK, TOPKAT, and MCASE in the prediction of the genotoxicity of pharmaceutical molecules
-
Snyder RD, Pearl GM, Mandakas G et al (2004) Assessment of the sensitivity of the computational programs DEREK, TOPKAT, and MCASE in the prediction of the genotoxicity of pharmaceutical molecules. Environ Mol Mutagen 43:143-158
-
(2004)
Environ Mol Mutagen
, vol.43
, pp. 143-158
-
-
Snyder, R.D.1
Pearl, G.M.2
Mandakas, G.3
-
45
-
-
34250795654
-
Prediction of rodent carcinogenic potential of naturally occurring chemicals in the human diet using high-throughput QSAR predictive modeling
-
Valerio LG, Arvidson KB, Chanderbhan RF et al (2007) Prediction of rodent carcinogenic potential of naturally occurring chemicals in the human diet using high-throughput QSAR predictive modeling. Toxicol Appl Pharmacol 222:1-16
-
(2007)
Toxicol Appl Pharmacol
, vol.222
, pp. 1-16
-
-
Valerio, L.G.1
Arvidson, K.B.2
Chanderbhan, R.F.3
-
46
-
-
0029792158
-
Prediction of Salmonella mutagenicity
-
Zeiger E, Ashby J, Bakale G et al (1996) Prediction of Salmonella mutagenicity. Mutagen 11:474-484
-
(1996)
Mutagen
, vol.11
, pp. 474-484
-
-
Zeiger, E.1
Ashby, J.2
Bakale, G.3
-
47
-
-
40249101197
-
Collection and evaluation of (Q)SAR models for mutagenicity and carcinogenicity
-
Office for the Official Publications of the European Communities, Luxenbourg. EUR-Scientific and Technical Research Series. Ref Type: Report 12-7-2007
-
Benigni R, Bossa C, Netzeva TI, et al (2007) Collection and evaluation of (Q)SAR models for mutagenicity and carcinogenicity. EUR 22772 EN. Office for the Official Publications of the European Communities, Luxenbourg. EUR-Scientific and Technical Research Series. 12-7-2007. Ref Type: Report
-
(2007)
EUR 22772 EN
-
-
Benigni, R.1
Bossa, C.2
Netzeva, T.I.3
-
48
-
-
0029153221
-
Development of structure-activity relationship rules for predicting carcinogenic potential of chemicals
-
Woo YT, Lai DY, Argus MF et al (1995) Development of structure-activity relationship rules for predicting carcinogenic potential of chemicals. Toxicol Lett 79:219-228
-
(1995)
Toxicol Lett
, vol.79
, pp. 219-228
-
-
Woo, Y.T.1
Lai, D.Y.2
Argus, M.F.3
-
49
-
-
0141611162
-
Designing safer drugs: (Q)SAR-based identification of mutagens and carcinogens
-
Benigni R, Zito R (2003) Designing safer drugs: (Q)SAR-based identification of mutagens and carcinogens. Curr Top Med Chem 3:1289-1300
-
(2003)
Curr Top Med Chem
, vol.3
, pp. 1289-1300
-
-
Benigni, R.1
Zito, R.2
-
50
-
-
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
-
51
-
-
0023856614
-
Chemical structure, Salmonella mutagenicity and extent of carcinogenicity as indicators of genotoxic carcinogenesis among 222 chemicals tested by the U.S.NCI/NTP
-
Ashby J, Tennant RW (1988) Chemical structure, Salmonella mutagenicity and extent of carcinogenicity as indicators of genotoxic carcinogenesis among 222 chemicals tested by the U.S.NCI/NTP. Mutat Res 204:17-115
-
(1988)
Mutat Res
, vol.204
, pp. 17-115
-
-
Ashby, J.1
Tennant, R.W.2
-
52
-
-
0002948521
-
Measuring intra-assay agreement for the Ames Salmonella assay
-
Rienhoff O, Lindberg DAB (eds) Springer, Heidelberg
-
Piegorsch WW, Zeiger E (1991) Measuring intra-assay agreement for the Ames Salmonella assay. In: Rienhoff O, Lindberg DAB (eds) Statistical methods in toxicology. Springer, Heidelberg, pp 35-41
-
(1991)
Statistical Methods in Toxicology.
, pp. 35-41
-
-
Piegorsch, W.W.1
Zeiger, E.2
-
54
-
-
37449006161
-
Structure activity relationship analysis tools: Validation and applicability in predicting carcinogens
-
Mayer J, Cheeseman MA, Twaroski ML (2008) Structure activity relationship analysis tools: Validation and applicability in predicting carcinogens. Regulat Pharmacol Toxicol 50:50-58
-
(2008)
Regulat Pharmacol Toxicol
, vol.50
, pp. 50-58
-
-
Mayer, J.1
Cheeseman, M.A.2
Twaroski, M.L.3
-
55
-
-
0347052775
-
The second National Toxicology Program comparative exercise on the prediction of rodent carcinogenicity: Definitive results
-
Benigni R, Zito R (2004) The second National Toxicology Program comparative exercise on the prediction of rodent carcinogenicity: Definitive results. Mutat Res Rev 566:49-63
-
(2004)
Mutat Res Rev
, vol.566
, pp. 49-63
-
-
Benigni, R.1
Zito, R.2
-
57
-
-
48649102067
-
The threshold of toxicological concern (TTC) in risk assessment
-
Munro IC, Renwick AG, Danielewska-Nikiel B (2008) The threshold of toxicological concern (TTC) in risk assessment. Toxicol Lett 180: 151-156
-
(2008)
Toxicol Lett
, vol.180
, pp. 151-156
-
-
Munro, I.C.1
Renwick, A.G.2
Danielewska-Nikiel, B.3
-
58
-
-
10744227159
-
Structure-based thresholds of toxicological concern (TTC): Guidance for application to substances present at low levels in the diet
-
Kroes R, Renwick AG, Cheeseman MA et al (2004) Structure-based thresholds of toxicological concern (TTC): Guidance for application to substances present at low levels in the diet. Food Chem Toxicol 42:65-83
-
(2004)
Food Chem Toxicol
, vol.42
, pp. 65-83
-
-
Kroes, R.1
Renwick, A.G.2
Cheeseman, M.A.3
-
59
-
-
0030250802
-
Correlation of structural class with No-Observed-Effect levels: A proposal for establishing a threshold of concern
-
Munro IC, Ford RA, Kennepohl E et al (1996) Correlation of structural class with No-Observed-Effect levels: A proposal for establishing a threshold of concern. Food Chem Toxicol 34:829-867
-
(1996)
Food Chem Toxicol
, vol.34
, pp. 829-867
-
-
Munro, I.C.1
Ford, R.A.2
Kennepohl, E.3
-
60
-
-
0033951115
-
Classifying environmental pollutants: Part 3. External validation of the classification system
-
Verhaar HJM, Solbe J, Speksnijder J et al (2000) Classifying environmental pollutants: Part 3. External validation of the classification system. Chemosphere 40:875-883
-
(2000)
Chemosphere
, vol.40
, pp. 875-883
-
-
Verhaar, H.J.M.1
Solbe, J.2
Speksnijder, J.3
-
61
-
-
18344375332
-
The skin irritation corrosion rules estimation tool (SICRET)
-
Walker JD, Gerner I, Hulzebos E et al (2005) The Skin Irritation Corrosion Rules Estimation Tool (SICRET). QSAR Combinat Sci 24: 378-384
-
(2005)
QSAR Combinat Sci
, vol.24
, pp. 378-384
-
-
Walker, J.D.1
Gerner, I.2
Hulzebos, E.3
-
62
-
-
9644255830
-
Use of physicochemical property limits to develop rules for identifying chemical substances with no skin irritation or corrosion potential
-
Gerner I, Schlegel K, Walker JD et al (2004) Use of physicochemical property limits to develop rules for identifying chemical substances with no skin irritation or corrosion potential. QSAR Combinat Sci 23:726-733
-
(2004)
QSAR Combinat Sci
, vol.23
, pp. 726-733
-
-
Gerner, I.1
Schlegel, K.2
Walker, J.D.3
-
63
-
-
18344395176
-
Use of structural alerts to develop rules for identifying chemical substances with skin irritation or skin corrosion potential
-
Hulzebos E, Walker JD, Gerner I et al (2005) Use of structural alerts to develop rules for identifying chemical substances with skin irritation or skin corrosion potential. QSAR Combinat Sci 24:332-342
-
(2005)
QSAR Combinat Sci
, vol.24
, pp. 332-342
-
-
Hulzebos, E.1
Walker, J.D.2
Gerner, I.3
-
64
-
-
22044433824
-
Assessment of the eye irritating properties of chemicals by applying alternatives to the Draize rabbit eye test: The use of QSARs and in vitro tests for the classification of eye irritation
-
Gerner I, Liebsch M, Spielmann H (2005) Assessment of the eye irritating properties of chemicals by applying alternatives to the Draize rabbit eye test: The use of QSARs and in vitro tests for the classification of eye irritation. Altern Lab Anim 33:215-237
-
(2005)
Altern Lab Anim
, vol.33
, pp. 215-237
-
-
Gerner, I.1
Liebsch, M.2
Spielmann, H.3
-
65
-
-
77953940392
-
Structural analysis and predictive value of the rodent in vivo micronucleus assay results
-
Benigni R, Bossa C, Worth AP (2010) Structural analysis and predictive value of the rodent in vivo micronucleus assay results. Mutagen 25:335-341
-
(2010)
Mutagen
, vol.25
, pp. 335-341
-
-
Benigni, R.1
Bossa, C.2
Worth, A.P.3
-
66
-
-
35148890884
-
Verification of the structural alerts for Michael acceptors
-
Schultz TW (2007) Verification of the structural alerts for Michael acceptors. Chem Res Toxicol 20:1359-1363
-
(2007)
Chem Res Toxicol
, vol.20
, pp. 1359-1363
-
-
Schultz, T.W.1
-
67
-
-
53849113018
-
Identification of mechanisms of toxic action for skin sensitisation using a SMARTS pattern based approach
-
Enoch SJ, Madden JC, Cronin MT (2008) Identification of mechanisms of toxic action for skin sensitisation using a SMARTS pattern based approach. SAR QSAR Environ Res 19:555-578
-
(2008)
SAR QSAR Environ Res
, vol.19
, pp. 555-578
-
-
Enoch, S.J.1
Madden, J.C.2
Cronin, M.T.3
-
68
-
-
25444520273
-
Skin sensitization: Reaction mechanistic applicability domains for structure-activity relationships
-
Aptula AO, Patlewicz G, Roberts DW (2005) Skin sensitization: Reaction mechanistic applicability domains for structure-activity relationships. Chem Res Toxicol 18:1420-1426
-
(2005)
Chem Res Toxicol
, vol.18
, pp. 1420-1426
-
-
Aptula, A.O.1
Patlewicz, G.2
Roberts, D.W.3
-
69
-
-
77953932263
-
SMARTCyp: A 2D method for prediction of cytochrome P450-mediated drug metabolism
-
Rydberg P, Gloriam DE, Zaretzki J et al (2010) SMARTCyp: A 2D method for prediction of cytochrome P450-mediated drug metabolism. ACS Med Chem Lett 1:96-100
-
(2010)
ACS Med Chem Lett
, vol.1
, pp. 96-100
-
-
Rydberg, P.1
Gloriam, D.E.2
Zaretzki, J.3
-
70
-
-
34248597840
-
Identification of the structural requirements for mutagencitiy, by incorporating molecular flexibility and metabolic activation of chemicals. II. General Ames mutagenicity model
-
Serafimova R, Todorov M, Pavlov T et al (2007) Identification of the structural requirements for mutagencitiy, by incorporating molecular flexibility and metabolic activation of chemicals. II. General Ames mutagenicity model. Chem Res Toxicol 20:662-676
-
(2007)
Chem Res Toxicol
, vol.20
, pp. 662-676
-
-
Serafimova, R.1
Todorov, M.2
Pavlov, T.3
-
71
-
-
79957469242
-
Collaborative development of predictive toxicology applications
-
Hardy B, Douglas N, Helma C et al (2010) Collaborative development of predictive toxicology applications. J Cheminf 2:7
-
(2010)
J Cheminf
, vol.2
, pp. 7
-
-
Hardy, B.1
Douglas, N.2
Helma, C.3
-
72
-
-
70449528780
-
In silico toxicology for the pharmaceutical sciences
-
Valerio LG (2009) In silico toxicology for the pharmaceutical sciences. Toxicol Appl Pharmacol 241:356-370
-
(2009)
Toxicol Appl Pharmacol
, vol.241
, pp. 356-370
-
-
Valerio, L.G.1
-
73
-
-
84881652399
-
Approaches to data gap filling in chemical categories
-
OECD. OECD Series on Testing and Assessment, Paris
-
OECD (2007) Approaches to data gap filling in chemical categories. Chapter 3: Guidance on grouping of chemicals, vol 80. OECD Series on Testing and Assessment, Paris, pp 30-41
-
(2007)
Chapter 3: Guidance on Grouping of Chemicals
, vol.80
, pp. 30-41
-
-
-
74
-
-
41049117650
-
Toxicity data informatics: Supporting a new paradigm for toxicity prediction
-
Richard AM, Yang C, Judson RS (2008) Toxicity data informatics: Supporting a new paradigm for toxicity prediction. Toxicol Mech Meth 18:103-118
-
(2008)
Toxicol Mech Meth
, vol.18
, pp. 103-118
-
-
Richard, A.M.1
Yang, C.2
Judson, R.S.3
-
75
-
-
30744453261
-
Landscape of current toxicity databases and database standards
-
Yang C, Benz RD, Cheeseman MA (2006) Landscape of current toxicity databases and database standards. Curr Opin Drug Discov Dev 9:124-133
-
(2006)
Curr Opin Drug Discov Dev
, vol.9
, pp. 124-133
-
-
Yang, C.1
Benz, R.D.2
Cheeseman, M.A.3
-
76
-
-
33646844277
-
The art of data mining the minefields of toxicity databases to link chemistry to biology
-
Yang C, Richard AM, Cross KP (2006) The art of data mining the minefields of toxicity databases to link chemistry to biology. Curr Comput Aid Drug Des 2:135-150
-
(2006)
Curr Comput Aid Drug Des
, vol.2
, pp. 135-150
-
-
Yang, C.1
Richard, A.M.2
Cross, K.P.3
-
77
-
-
45749117943
-
A novel approach: Chemical relational databases, and the role of the ISSCAN database on assessing chemical carcinogenicity
-
Benigni R, Bossa C, Richard AM et al (2008) A novel approach: Chemical relational databases, and the role of the ISSCAN database on assessing chemical carcinogenicity. Ann Ist Super Sanita 44:48-56
-
(2008)
Ann Ist Super Sanita
, vol.44
, pp. 48-56
-
-
Benigni, R.1
Bossa, C.2
Richard, A.M.3
-
78
-
-
12244257228
-
DSSTox web site launch: Improving public access to databases for building structure-toxicity prediction models
-
Richard AM (2004) DSSTox web site launch: Improving public access to databases for building structure-toxicity prediction models. Preclinica 2:103-108
-
(2004)
Preclinica
, vol.2
, pp. 103-108
-
-
Richard, A.M.1
-
79
-
-
55649116409
-
ACToR-Aggregated computational toxicology resource
-
Judson R, Richard AM, Dix D et al (2008) ACToR-aggregated computational toxicology resource. Toxicol Appl Pharmacol 233: 7-13
-
(2008)
Toxicol Appl Pharmacol
, vol.233
, pp. 7-13
-
-
Judson, R.1
Richard, A.M.2
Dix, D.3
-
80
-
-
33845620001
-
The ToxCast program for prioritizing toxicity testing of environmental chemicals
-
Dix DJ, Houck KA, Martin MT et al (2007) The ToxCast program for prioritizing toxicity testing of environmental chemicals. Toxicol Sci 95:5-12
-
(2007)
Toxicol Sci
, vol.95
, pp. 5-12
-
-
Dix, D.J.1
Houck, K.A.2
Martin, M.T.3
|