-
1
-
-
0031419526
-
Avoided and avoidable risks of cancer
-
Tomatis, L., Huff, J., Hertz-Picciotto, I., Sandler, D. P., Bucher, J., Boffetta, P., Axelson, O., Blair, A., Taylor, J., Stayner, L., and Barrett, J. C. (1997) Avoided and avoidable risks of cancer. Carcinogenesis 18, 97-105.
-
(1997)
Carcinogenesis
, vol.18
, pp. 97-105
-
-
Tomatis, L.1
Huff, J.2
Hertz-Picciotto, I.3
Sandler, D.P.4
Bucher, J.5
Boffetta, P.6
Axelson, O.7
Blair, A.8
Taylor, J.9
Stayner, L.10
Barrett, J.C.11
-
3
-
-
15744386375
-
Predicting carcinogenicity early: The latest in silico solution
-
Louis, J. C. (2003) Predicting carcinogenicity early: The latest in silico solution. Biosilico 1, 115-116.
-
(2003)
Biosilico
, vol.1
, pp. 115-116
-
-
Louis, J.C.1
-
4
-
-
14844294440
-
A topological substructural approach applied to the computational prediction of rodent carcinogenicity
-
Helguera, A. M., Cabrera Perez, M. A., González, M. P., Ruiz, R. M., and Gonzalez-Diaz, H. (2005) A topological substructural approach applied to the computational prediction of rodent carcinogenicity. Bioorg. Med. Chem. 13, 2477-2488.
-
(2005)
Bioorg. Med. Chem
, vol.13
, pp. 2477-2488
-
-
Helguera, A.M.1
Cabrera Perez, M.A.2
González, M.P.3
Ruiz, R.M.4
Gonzalez-Diaz, H.5
-
5
-
-
32044469800
-
The prediction of carcinogenicity from molecular structure
-
Helguera, A. M., Cabrera, M. A., Combes, R. D., and González, M. P. (2005) The prediction of carcinogenicity from molecular structure. Curr. Comput.-Aided Drug. Des. 1, 237-255.
-
(2005)
Curr. Comput.-Aided Drug. Des
, vol.1
, pp. 237-255
-
-
Helguera, A.M.1
Cabrera, M.A.2
Combes, R.D.3
González, M.P.4
-
6
-
-
0001383515
-
The development and validation of expert systems for predicting toxicity
-
Dearden, J. C., Barrett, M. D., Benigni, R., Bristol, D. W., Combes, R. D., Cronin, M. T. D., Judson, P. N., Payne, M. P., Richard, A. M., Tichý, M., Worth, A. P., and Yourick, J. J. (1997) The development and validation of expert systems for predicting toxicity. ATLA 25, 223-252.
-
(1997)
ATLA 25
, pp. 223-252
-
-
Dearden, J.C.1
Barrett, M.D.2
Benigni, R.3
Bristol, D.W.4
Combes, R.D.5
Cronin, M.T.D.6
Judson, P.N.7
Payne, M.P.8
Richard, A.M.9
Tichý, M.10
Worth, A.P.11
Yourick, J.J.12
-
7
-
-
0004315104
-
-
Wiley VCH, Weinheim, Germany
-
Todeschini, R., and Consonni, V. (2000) Handbook of Molecular Descriptors, Wiley VCH, Weinheim, Germany.
-
(2000)
Handbook of Molecular Descriptors
-
-
Todeschini, R.1
Consonni, V.2
-
8
-
-
0033655850
-
On the topological sub-structural molecular design (TOSS-MODE) in QSPR/QSAR and drug design research
-
Estrada, E. (2000) On the topological sub-structural molecular design (TOSS-MODE) in QSPR/QSAR and drug design research. SAR QSAR Environ. Res. 11, 55-73.
-
(2000)
SAR QSAR Environ. Res
, vol.11
, pp. 55-73
-
-
Estrada, E.1
-
9
-
-
1642345374
-
A topological sub-structural approach of the mutagenic activity in dental monomers. 1. Aromatic epoxides
-
González, M. P., Helguera, A. M., Molina, R., and García, J. R. (2004) A topological sub-structural approach of the mutagenic activity in dental monomers. 1. Aromatic epoxides. Polymer 45, 2773-2779.
-
(2004)
Polymer
, vol.45
, pp. 2773-2779
-
-
González, M.P.1
Helguera, A.M.2
Molina, R.3
García, J.R.4
-
10
-
-
1242351271
-
A TOPS-MODE approach to predict permeability coefficients
-
González, M. P., Helguera, A. M., and Gonzalez-Diaz, H. (2004) A TOPS-MODE approach to predict permeability coefficients. Polymer 45, 2073-2079.
-
(2004)
Polymer
, vol.45
, pp. 2073-2079
-
-
González, M.P.1
Helguera, A.M.2
Gonzalez-Diaz, H.3
-
11
-
-
3042579436
-
A topological sub-structural approach to the mutagenic activity in dental monomers. 2. Cycloaliphatic epoxides
-
González, M. P., Dias, L., and Helguera, A. M. (2004) A topological sub-structural approach to the mutagenic activity in dental monomers. 2. Cycloaliphatic epoxides. Polymer 15, 5353-5359.
-
(2004)
Polymer
, vol.15
, pp. 5353-5359
-
-
González, M.P.1
Dias, L.2
Helguera, A.M.3
-
12
-
-
1242306240
-
TOPS-MODE approach to predict mutagenicity in dental monomers
-
Helguera, A. M., González, M. P., and Briones, J. R. (2004) TOPS-MODE approach to predict mutagenicity in dental monomers. Polymer 45, 2045-2050.
-
(2004)
Polymer
, vol.45
, pp. 2045-2050
-
-
Helguera, A.M.1
González, M.P.2
Briones, J.R.3
-
13
-
-
4043142950
-
TOPS-MODE based QSARs derived from heterogeneous series of compounds. Applications to the design of new anti-inflammatory compounds
-
Gonzalez, M. P., Dias, L. C., Helguera, A. M., Rodriguez, Y. M., Gonzaga de Oliveira, L., Torres, G. L., and Gonzalez-Diaz, H. (2004) TOPS-MODE based QSARs derived from heterogeneous series of compounds. Applications to the design of new anti-inflammatory compounds. Bioorg. Med. Chem. 12, 4467-4475.
-
(2004)
Bioorg. Med. Chem
, vol.12
, pp. 4467-4475
-
-
Gonzalez, M.P.1
Dias, L.C.2
Helguera, A.M.3
Rodriguez, Y.M.4
Gonzaga de Oliveira, L.5
Torres, G.L.6
Gonzalez-Diaz, H.7
-
14
-
-
0842326730
-
A novel approach to predict a toxicological property of aromatic compounds in the Tetrahymena pyriformis
-
Gonzalez, M. P., Gonzalez-Diaz, H., Cabrera, M. A., and Molina, R. R. (2004) A novel approach to predict a toxicological property of aromatic compounds in the Tetrahymena pyriformis. Bioorg. Med. Chem. 12, 735-744.
-
(2004)
Bioorg. Med. Chem
, vol.12
, pp. 735-744
-
-
Gonzalez, M.P.1
Gonzalez-Diaz, H.2
Cabrera, M.A.3
Molina, R.R.4
-
15
-
-
0642315439
-
TOPS-MODE based QSARs derived from heterogeneous series of compounds. Applications to the design of new herbicides
-
González, M. P., Gonzalez-Diaz, H., Molina Ruiz, R., Cabrera, M. A., and Ramos de Armas, R. (2003) TOPS-MODE based QSARs derived from heterogeneous series of compounds. Applications to the design of new herbicides. J. Chem. Inf. Comput. Sci. 43, 1192-1199.
-
(2003)
J. Chem. Inf. Comput. Sci
, vol.43
, pp. 1192-1199
-
-
González, M.P.1
Gonzalez-Diaz, H.2
Molina Ruiz, R.3
Cabrera, M.A.4
Ramos de Armas, R.5
-
16
-
-
18244426693
-
A TOPS-MODE approach to predict adenosine kinase inhibition
-
González, M. P., and Teran, C. (2004) A TOPS-MODE approach to predict adenosine kinase inhibition. Bioorg. Med. Chem. Lett. 14, 3077-3079.
-
(2004)
Bioorg. Med. Chem. Lett
, vol.14
, pp. 3077-3079
-
-
González, M.P.1
Teran, C.2
-
17
-
-
1242339728
-
Stereochemical effects in the metabolic activation of nitrosopiperidines: Correlations with genotoxicity
-
Gonzalez-Mancebo, S., Gaspar, J., Calle, E., Pereira, S., Mariano, A., Rueff, J., and Casado, J. (2004) Stereochemical effects in the metabolic activation of nitrosopiperidines: Correlations with genotoxicity. Mutat. Res. 558, 45-51.
-
(2004)
Mutat. Res
, vol.558
, pp. 45-51
-
-
Gonzalez-Mancebo, S.1
Gaspar, J.2
Calle, E.3
Pereira, S.4
Mariano, A.5
Rueff, J.6
Casado, J.7
-
18
-
-
12144265866
-
Cytochrome P450 2A-catalyzed metabolic activation of structurally similar carcinogenic nitrosamines: N′-Nitrosonornicotine enantiomers, N-nitrosopiperidine, and N-nitrosopyrrolidine
-
Wong, H. L., Murphy, S. E., and Hecht, S. S. (2005) Cytochrome P450 2A-catalyzed metabolic activation of structurally similar carcinogenic nitrosamines: N′-Nitrosonornicotine enantiomers, N-nitrosopiperidine, and N-nitrosopyrrolidine. Chem. Res. Toxicol. 18, 61-69.
-
(2005)
Chem. Res. Toxicol
, vol.18
, pp. 61-69
-
-
Wong, H.L.1
Murphy, S.E.2
Hecht, S.S.3
-
19
-
-
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
-
20
-
-
0003627827
-
-
CRC Press, Boca Raton, FL
-
Gold, L. S., Manley, N. B., and Slone, T. H. (1997) Handbook of Carcinogenic Potency and Genotoxicity Databases, CRC Press, Boca Raton, FL.
-
(1997)
Handbook of Carcinogenic Potency and Genotoxicity Databases
-
-
Gold, L.S.1
Manley, N.B.2
Slone, T.H.3
-
21
-
-
0033173147
-
Supplement to the Carcinogenic Potency Database (CPDB): Results of animal bioassays published in the general literature in 1993 to 1994 and by the National Toxicology Program in 1995 to 1996
-
Gold, L. S., Manley, N. B., Slone, T. H., and Rohrbach, L. (1999) Supplement to the Carcinogenic Potency Database (CPDB): Results of animal bioassays published in the general literature in 1993 to 1994 and by the National Toxicology Program in 1995 to 1996. Environ. Health Perspect. 107 (Suppl. 4), 527-600.
-
(1999)
Environ. Health Perspect
, vol.107
, Issue.SUPPL. 4
, pp. 527-600
-
-
Gold, L.S.1
Manley, N.B.2
Slone, T.H.3
Rohrbach, L.4
-
22
-
-
0035325211
-
Data quality in predictive toxicology: Reproducibility of rodent carcinogenicity experiments
-
Gottmann, E., Kramer, S., Pfahringer, B., and Helma, C. (2001) Data quality in predictive toxicology: Reproducibility of rodent carcinogenicity experiments. Environ. Health Perspect. 109, 509-514.
-
(2001)
Environ. Health Perspect
, vol.109
, pp. 509-514
-
-
Gottmann, E.1
Kramer, S.2
Pfahringer, B.3
Helma, C.4
-
23
-
-
0037818351
-
Statistical evaluation of the Predictive Toxicology Challenge 2000-2001
-
Toivonen, H., Srinivasan, A., King, R. D., Kramer, S., and Helma, C. (2003) Statistical evaluation of the Predictive Toxicology Challenge 2000-2001. Bioinformatics 19, 1183-1193.
-
(2003)
Bioinformatics
, vol.19
, pp. 1183-1193
-
-
Toivonen, H.1
Srinivasan, A.2
King, R.D.3
Kramer, S.4
Helma, C.5
-
24
-
-
0000068058
-
Spectral moments of the edge adjacency matrix in molecular graphs. 1. Definition and applications to the prediction of physical properties of alkanes
-
Estrada, E. (1996) Spectral moments of the edge adjacency matrix in molecular graphs. 1. Definition and applications to the prediction of physical properties of alkanes. J. Chem. Inf. Comput. Sci. 36, 844-849.
-
(1996)
J. Chem. Inf. Comput. Sci
, vol.36
, pp. 844-849
-
-
Estrada, E.1
-
25
-
-
0000125522
-
Spectral moments of the edge-adjacency matrix of molecular graphs. 2. Molecules containing heteroatoms and QSAR applications
-
Estrada, E. (1997) Spectral moments of the edge-adjacency matrix of molecular graphs. 2. Molecules containing heteroatoms and QSAR applications. J. Chem. Inf. Comput. Sci. 37, 320-328.
-
(1997)
J. Chem. Inf. Comput. Sci
, vol.37
, pp. 320-328
-
-
Estrada, E.1
-
26
-
-
0002519128
-
Spectral moments of the edge adjacency matrix in molecular graphs. 3. Molecules containing cycles
-
Estrada, E. (1998) Spectral moments of the edge adjacency matrix in molecular graphs. 3. Molecules containing cycles. J. Chem. Inf. Comput. Sci. 38, 23-21.
-
(1998)
J. Chem. Inf. Comput. Sci
, vol.38
, pp. 23-21
-
-
Estrada, E.1
-
27
-
-
0029231541
-
Edge adjacency relationships and a novel topological index related to molecular volume
-
Estrada, E. (1995) Edge adjacency relationships and a novel topological index related to molecular volume. J. Chem. Inf. Comput. Sci. 35, 31-33.
-
(1995)
J. Chem. Inf. Comput. Sci
, vol.35
, pp. 31-33
-
-
Estrada, E.1
-
28
-
-
0041402848
-
Quantitative structure-toxicity relationships using TOPS-MODE. 3. Structural factors influencing the permeability of commercial solvents through living human skin
-
Estrada, E., Uriarte, E., Gutierrez, Y., and Gonzalez, H. (2003) Quantitative structure-toxicity relationships using TOPS-MODE. 3. Structural factors influencing the permeability of commercial solvents through living human skin. SAR QSAR Environ. Res. 14, 145-163.
-
(2003)
SAR QSAR Environ. Res
, vol.14
, pp. 145-163
-
-
Estrada, E.1
Uriarte, E.2
Gutierrez, Y.3
Gonzalez, H.4
-
30
-
-
0023965741
-
SMILES, a chemical language and information system. I. Introduction to methodology and encoding rules
-
Weininger, D. (1988) SMILES, a chemical language and information system. I. Introduction to methodology and encoding rules. J. Chem. Inf. Comput. Sci. 28, 31-36.
-
(1988)
J. Chem. Inf. Comput. Sci
, vol.28
, pp. 31-36
-
-
Weininger, D.1
-
31
-
-
0000144425
-
Smiles. 3. Depict. Graphical depiction of chemical structures
-
Weininger, D. (1990) Smiles. 3. Depict. Graphical depiction of chemical structures. J. Chem. Inf. Comput. Sci. 30, 237-243.
-
(1990)
J. Chem. Inf. Comput. Sci
, vol.30
, pp. 237-243
-
-
Weininger, D.1
-
32
-
-
0024664539
-
SMILES. 2. Algorithm for generation of unique SMILES notation
-
Weininger, D., Weininger, A., and Weininger, J. L. (1989) SMILES. 2. Algorithm for generation of unique SMILES notation. J. Chem. Inf. Comput. Sci. 29, 97-101.
-
(1989)
J. Chem. Inf. Comput. Sci
, vol.29
, pp. 97-101
-
-
Weininger, D.1
Weininger, A.2
Weininger, J.L.3
-
33
-
-
41849146251
-
-
Todeschini, R, Ballabio, D, Consonni, V, Mauri, A, and Pavan, M, 2004 Mobydigs Computer Software, TALETE srl, Milano
-
Todeschini, R., Ballabio, D., Consonni, V., Mauri, A., and Pavan, M. (2004) Mobydigs Computer Software, TALETE srl, Milano.
-
-
-
-
35
-
-
0032061265
-
Antimicrobial activity characterization in a heterogeneous group of compounds
-
García-Domenech, R., and Julián-Ortiz, J. V. (1998) Antimicrobial activity characterization in a heterogeneous group of compounds. J. Chem. Inf. Comput. Sci. 38, 445-449.
-
(1998)
J. Chem. Inf. Comput. Sci
, vol.38
, pp. 445-449
-
-
García-Domenech, R.1
Julián-Ortiz, J.V.2
-
36
-
-
0037361983
-
Assessing model fit by cross-validation
-
Hawkins, D. M., Basak, S. C., and Mills, D. (2003) Assessing model fit by cross-validation. J. Chem. Inf. Comput. Sci. 43, 579-586.
-
(2003)
J. Chem. Inf. Comput. Sci
, vol.43
, pp. 579-586
-
-
Hawkins, D.M.1
Basak, S.C.2
Mills, D.3
-
37
-
-
0008303180
-
-
2nd ed, Edições Sílabo, Lisboa
-
Pestana, M., and Gageiro, J. (2000) Análise de Dados para Ciências Sociais. A Complementaridade do SPSS, 2nd ed., Edições Sílabo, Lisboa.
-
(2000)
Análise de Dados para Ciências Sociais. A Complementaridade do SPSS
-
-
Pestana, M.1
Gageiro, J.2
-
39
-
-
0000026339
-
Orthogonal molecular descriptors
-
Randić, M. (1991) Orthogonal molecular descriptors. New J. Chem. 15, 517-525.
-
(1991)
New J. Chem
, vol.15
, pp. 517-525
-
-
Randić, M.1
-
40
-
-
0011451542
-
Correlation of enthalphy of octanes with orthogonal connectivity indices
-
Randić, M. (1991) Correlation of enthalphy of octanes with orthogonal connectivity indices. J. Mol. Struct. (Theochem) 233, 45-59.
-
(1991)
J. Mol. Struct. (Theochem)
, vol.233
, pp. 45-59
-
-
Randić, M.1
-
41
-
-
0001239360
-
Resolution of ambiguities in structure-property studies by use of orthogonal descriptors
-
Randić, M. (1991) Resolution of ambiguities in structure-property studies by use of orthogonal descriptors. J. Chem. Inf. Comput. Sci. 31, 311-320.
-
(1991)
J. Chem. Inf. Comput. Sci
, vol.31
, pp. 311-320
-
-
Randić, M.1
-
42
-
-
85138925489
-
-
Netzeva, T. I., Worth, A. P., Aldenberg, T., Benigni, R., Cronin, M. T. D., Gramatica, P., Jaworska, J. S., Kahn, S., Klopman, G., Marchant, C. A., Myatt, G., Nikolova-Jeliazkova, N., Patlewicz, G. Y., Perkins, R., Roberts, D. W., Schultz, T. W., Stanton, D. T., van de Sandt, J. J. M., Tong, W., Veith, G., and Yang, C. (2005) Current status of methods for defining the applicability domain of (quantitative) structure-activity relationships. The report and recommendations of ECVAM Workshop 52. ATLA 33, 155-173.
-
Netzeva, T. I., Worth, A. P., Aldenberg, T., Benigni, R., Cronin, M. T. D., Gramatica, P., Jaworska, J. S., Kahn, S., Klopman, G., Marchant, C. A., Myatt, G., Nikolova-Jeliazkova, N., Patlewicz, G. Y., Perkins, R., Roberts, D. W., Schultz, T. W., Stanton, D. T., van de Sandt, J. J. M., Tong, W., Veith, G., and Yang, C. (2005) Current status of methods for defining the applicability domain of (quantitative) structure-activity relationships. The report and recommendations of ECVAM Workshop 52. ATLA 33, 155-173.
-
-
-
-
43
-
-
0043132440
-
Methods for reliability and uncertainty assessment and for applicability evaluations of classification- and regression-based QSARs
-
Eriksson, L., Jaworska, J., Worth, A. P., Cronin, M. T. D., McDowell, R. M., and Gramatica, P. (2003) Methods for reliability and uncertainty assessment and for applicability evaluations of classification- and regression-based QSARs. Environ. Health Perspect. 111, 1361-1375.
-
(2003)
Environ. Health Perspect
, vol.111
, pp. 1361-1375
-
-
Eriksson, L.1
Jaworska, J.2
Worth, A.P.3
Cronin, M.T.D.4
McDowell, R.M.5
Gramatica, P.6
-
44
-
-
0037667596
-
Predicting the NO″3 radical tropospheric degradability of organic pollutants by theoretical molecular descriptors
-
Gramatica, P., Pilutti, P., and Papa, E. (2003) Predicting the NO″3 radical tropospheric degradability of organic pollutants by theoretical molecular descriptors. Atmos. Environ. 37, 3115-3124.
-
(2003)
Atmos. Environ
, vol.37
, pp. 3115-3124
-
-
Gramatica, P.1
Pilutti, P.2
Papa, E.3
-
45
-
-
0000041241
-
A critical appraisal of the evolution of N-nitrosoureas as anticancer drugs
-
Gnewuch, C. T., and Sosnovsky, G. (1997) A critical appraisal of the evolution of N-nitrosoureas as anticancer drugs. Chem. Rev. 97, 829-1013.
-
(1997)
Chem. Rev
, vol.97
, pp. 829-1013
-
-
Gnewuch, C.T.1
Sosnovsky, G.2
-
46
-
-
0015333634
-
Carcinogenesis and alkylation of rat liver nucleic acids by nitrosomethylurea and nitrosoethylurea administered by intraportal injection
-
Lijinsky, W., Garcia, H., Keefer, L., Loo, J., and Ross, A. E. (1972) Carcinogenesis and alkylation of rat liver nucleic acids by nitrosomethylurea and nitrosoethylurea administered by intraportal injection. Cancer Res. 32, 893-897.
-
(1972)
Cancer Res
, vol.32
, pp. 893-897
-
-
Lijinsky, W.1
Garcia, H.2
Keefer, L.3
Loo, J.4
Ross, A.E.5
-
47
-
-
13944277796
-
Differential adduction of proteins vs. deoxynucleosides by methyl methanesulfonate and 1-methyl-1-nitrosourea in vitro
-
Zhang, F., Bartels, M. J., Pottenger, L. H., and Gollapudi, B. B. (2005) Differential adduction of proteins vs. deoxynucleosides by methyl methanesulfonate and 1-methyl-1-nitrosourea in vitro. Rapid Commun. Mass Spectrom. 19, 438-148.
-
(2005)
Rapid Commun. Mass Spectrom
, vol.19
, pp. 438-148
-
-
Zhang, F.1
Bartels, M.J.2
Pottenger, L.H.3
Gollapudi, B.B.4
-
48
-
-
0018675134
-
Comparison of mutagenicity, antitumor activity, and chemical properties of selected nitrosoureas and nitrosoamides
-
Brundett, R. B., Colvin, M., White, E. H., McKee, J., Hartman, P. E., and Brown, D. L. (1979) Comparison of mutagenicity, antitumor activity, and chemical properties of selected nitrosoureas and nitrosoamides. Cancer Res. 39, 1328-1333.
-
(1979)
Cancer Res
, vol.39
, pp. 1328-1333
-
-
Brundett, R.B.1
Colvin, M.2
White, E.H.3
McKee, J.4
Hartman, P.E.5
Brown, D.L.6
-
49
-
-
0032842586
-
Tumorigenicity and metabolism of 4-(methylnitrosamino)-1-(3-pyridyl)- 1-butanol enantiomers and metabolites in the A/J mouse
-
Upadhyaya, P., Kenney, P. M., Hochalter, J. B., Wang, M., and Hecht, S. S. (1999) Tumorigenicity and metabolism of 4-(methylnitrosamino)-1-(3-pyridyl)- 1-butanol enantiomers and metabolites in the A/J mouse. Carcinogenesis 20, 1577-1582.
-
(1999)
Carcinogenesis
, vol.20
, pp. 1577-1582
-
-
Upadhyaya, P.1
Kenney, P.M.2
Hochalter, J.B.3
Wang, M.4
Hecht, S.S.5
-
50
-
-
0031831381
-
Biochemistry, biology, and carcinogenicity of tobacco-specific N-nitrosamines
-
Hecht, S. S. (1998) Biochemistry, biology, and carcinogenicity of tobacco-specific N-nitrosamines. Chem. Res. Toxicol. 11, 559-603.
-
(1998)
Chem. Res. Toxicol
, vol.11
, pp. 559-603
-
-
Hecht, S.S.1
-
52
-
-
33751001607
-
Automatic extraction of structural alerts for predicting chromosome aberrations of organic compounds
-
Estrada, E., and Molina, E. (2006) Automatic extraction of structural alerts for predicting chromosome aberrations of organic compounds. J. Mol. Graphics Modell. 25, 275-288.
-
(2006)
J. Mol. Graphics Modell
, vol.25
, pp. 275-288
-
-
Estrada, E.1
Molina, E.2
-
53
-
-
0142139289
-
Computer-aided knowledge generation for understanding skin sensitization mechanisms: The TOPS-MODE approach
-
Estrada, E., Patlewicz, G., Chamberlain, M., Basketter, D., and Larbey, S. (2003) Computer-aided knowledge generation for understanding skin sensitization mechanisms: the TOPS-MODE approach. Chem. Res. Toxicol. 16, 1226-1235.
-
(2003)
Chem. Res. Toxicol
, vol.16
, pp. 1226-1235
-
-
Estrada, E.1
Patlewicz, G.2
Chamberlain, M.3
Basketter, D.4
Larbey, S.5
-
54
-
-
32044437418
-
Quantitative structure activity relationship for the computational prediction of nitrocompounds carcinogenicity
-
Helguera, A. M., Perez, M. A., Combes, R. D., and González, M. P. (2006) Quantitative structure activity relationship for the computational prediction of nitrocompounds carcinogenicity. Toxicology 220, 51-62.
-
(2006)
Toxicology
, vol.220
, pp. 51-62
-
-
Helguera, A.M.1
Perez, M.A.2
Combes, R.D.3
González, M.P.4
-
55
-
-
34248554406
-
Quantitative structure carcinogenicity relationship for detecting structural alerts in nitroso-compounds
-
Helguera, A. M., González, M. P., Cordeiro, M. N. D. S., and Cabrera, M. A. (2007) Quantitative structure carcinogenicity relationship for detecting structural alerts in nitroso-compounds. Toxicol. Appl. Pharmacol. 221, 189-202.
-
(2007)
Toxicol. Appl. Pharmacol
, vol.221
, pp. 189-202
-
-
Helguera, A.M.1
González, M.P.2
Cordeiro, M.N.D.S.3
Cabrera, M.A.4
|