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Volumn , Issue , 2009, Pages 335-355

Structure-activity modeling of a diverse set of androgen receptor ligands

Author keywords

Androgen receptor; Binding assays; Endocrine disruptors; Linear and nonlinear methods; Quantitative structure activity relationship (QSAR)

Indexed keywords


EID: 84860299954     PISSN: None     EISSN: None     Source Type: Book    
DOI: 10.1201/9781420076363     Document Type: Chapter
Times cited : (11)

References (73)
  • 3
    • 0028999387 scopus 로고
    • Physiological and biochemical perturbations in Daphnia magna following exposure to the model environmental estrogen diethylstilbestrol
    • W.S. Baldwin, D.L. Milam, and G.A. LeBlanc, Physiological and biochemical perturbations in Daphnia magna following exposure to the model environmental estrogen diethylstilbestrol, Environ. Toxicol. Chem. 14 (1995), pp. 945-952.
    • (1995) Environ. Toxicol. Chem , vol.14 , pp. 945-952
    • Baldwin, W.S.1    Milam, D.L.2    Leblanc, G.A.3
  • 4
    • 0030066424 scopus 로고    scopus 로고
    • Estrogenic activity of surfactants and some of their degradation products assessed using a recombinant yeast screen
    • E.J. Routledge and J.P. Sumpter, Estrogenic activity of surfactants and some of their degradation products assessed using a recombinant yeast screen, Environ. Toxicol. Chem. 15 (1996), pp. 241-248.
    • (1996) Environ. Toxicol. Chem , vol.15 , pp. 241-248
    • Routledge, E.J.1    Sumpter, J.P.2
  • 6
    • 0031829652 scopus 로고    scopus 로고
    • Induction of EROD activity in HEPA-1 mouse hepatoma cells and estrogenicity in MCF-7 human breast cancer cells by extracts of pulp mill effluents, sludge, and sediment exposed to effluents
    • J. Koistinen, M. Soimasuo, K. Tukia, A. Oikari, A. Blankenship, and J.P. Giesy, Induction of EROD activity in HEPA-1 mouse hepatoma cells and estrogenicity in MCF-7 human breast cancer cells by extracts of pulp mill effluents, sludge, and sediment exposed to effluents, Environ. Toxicol. Chem. 17 (1998), pp. 1499-1507.
    • (1998) Environ. Toxicol. Chem , vol.17 , pp. 1499-1507
    • Koistinen, J.1    Soimasuo, M.2    Tukia, K.3    Oikari, A.4    Blankenship, A.5    Giesy, J.P.6
  • 7
    • 0031975058 scopus 로고    scopus 로고
    • Phytoestrogens and anthropogenic estrogenic compounds
    • S.H. Safe and K. Gaido, Phytoestrogens and anthropogenic estrogenic compounds, Environ. Toxicol. Chem. 17 (1998), pp. 119-126.
    • (1998) Environ. Toxicol. Chem , vol.17 , pp. 119-126
    • Safe, S.H.1    Gaido, K.2
  • 8
    • 0032801139 scopus 로고    scopus 로고
    • Survey of estrogenic activity in United Kingdom estuarine and coastal waters and its effects on gonadal development of the flounder Platichthys flesus
    • Y. Allen, A.P. Scott, P. Matthiessen, S. Haworth, J.E. Thain, and S. Feist, Survey of estrogenic activity in United Kingdom estuarine and coastal waters and its effects on gonadal development of the flounder Platichthys flesus, Environ. Toxicol. Chem. 18 (1999), pp. 1791-1800.
    • (1999) Environ. Toxicol. Chem , vol.18 , pp. 1791-1800
    • Allen, Y.1    Scott, A.P.2    Matthiessen, P.3    Haworth, S.4    Thain, J.E.5    Feist, S.6
  • 9
    • 35348991734 scopus 로고    scopus 로고
    • In utero exposure to the environmental androgen trenbolone masculinizes female Sprague-Dawley rats
    • A.K. Hotchkiss, J. Furr, E.A. Makynen, G.T. Ankley, and L.E. Gray, In utero exposure to the environmental androgen trenbolone masculinizes female Sprague-Dawley rats, Toxicol. Lett. 174 (2007), pp. 31-41.
    • (2007) Toxicol. Lett , vol.174 , pp. 31-41
    • Hotchkiss, A.K.1    Furr, J.2    Makynen, E.A.3    Ankley, G.T.4    Gray, L.E.5
  • 10
    • 0034894903 scopus 로고    scopus 로고
    • Masculinization of female mosquitofish in Kraft mill effluent-contaminated Fenholloway River water is associated with androgen receptor agonist activity
    • L.G. Parks, C.S. Lambright, E.F. Orlando, L.J. Guillette, G.T. Ankley, and L.E. Gray, Masculinization of female mosquitofish in Kraft mill effluent-contaminated Fenholloway River water is associated with androgen receptor agonist activity, Toxicol. Sci. 62 (2001), pp. 257-267.
    • (2001) Toxicol. Sci , vol.62 , pp. 257-267
    • Parks, L.G.1    Lambright, C.S.2    Orlando, E.F.3    Guillette, L.J.4    Ankley, G.T.5    Gray, L.E.6
  • 12
    • 34548356968 scopus 로고    scopus 로고
    • Altered development and reproduction in mosquitofish exposed to pulp and paper mill effluent in the Fenholloway River, Florida, USA
    • E.F. Orlando, D.E. Bass, L.M. Caltabiano, W.P. Davis, L.E. Gray, and L.J. Guillette, Altered development and reproduction in mosquitofish exposed to pulp and paper mill effluent in the Fenholloway River, Florida, USA, Aquat. Toxicol. 84 (2007), pp. 399-405.
    • (2007) Aquat. Toxicol , vol.84 , pp. 399-405
    • Orlando, E.F.1    Bass, D.E.2    Caltabiano, L.M.3    Davis, W.P.4    Gray, L.E.5    Guillette, L.J.6
  • 13
    • 33846560990 scopus 로고    scopus 로고
    • Androgenic and antiandrogenic activities in water and sediment samples from the River Lambro, Italy, detected by yeast androgen screen and chemical analyses
    • R. Urbatzka, A. van Cauwenberge, S. Maggioni, L. Vigano, A. Mandich, E. Benfenati, I. Lutz, and W. Kloas, Androgenic and antiandrogenic activities in water and sediment samples from the River Lambro, Italy, detected by yeast androgen screen and chemical analyses, Chemosphere 67 (2007), pp. 1080-1087.
    • (2007) Chemosphere , vol.67 , pp. 1080-1087
    • Urbatzka, R.1    van Cauwenberge, A.2    Maggioni, S.3    Vigano, L.4    Mandich, A.5    Benfenati, E.6    Lutz, I.7    Kloas, W.8
  • 14
    • 0347660912 scopus 로고    scopus 로고
    • Antiandrogenic activities of diesel exhaust particle extracts in PC3/AR human prostate carcinoma cells
    • R. Kizu, K. Okamura, A. Toriba, A. Mizokami, K.L. Burnstein, C.M. Klinge, and K. Hayakawa, Antiandrogenic activities of diesel exhaust particle extracts in PC3/AR human prostate carcinoma cells, Toxicol. Sci. 76 (2003), pp. 299-309.
    • (2003) Toxicol. Sci , vol.76 , pp. 299-309
    • Kizu, R.1    Okamura, K.2    Toriba, A.3    Mizokami, A.4    Burnstein, K.L.5    Klinge, C.M.6    Hayakawa, K.7
  • 15
    • 33750343528 scopus 로고    scopus 로고
    • Estrogenic and anti-androgenic activities of 4-nitrophenol in diesel exhaust particles
    • C. Li, S. Taneda, A.K. Suzuki, C. Furuta, G. Watanabe, and K. Taya, Estrogenic and anti-androgenic activities of 4-nitrophenol in diesel exhaust particles, Toxicol. Appl. Pharmacol. 217 (2006), pp. 1-6.
    • (2006) Toxicol. Appl. Pharmacol , vol.217 , pp. 1-6
    • Li, C.1    Taneda, S.2    Suzuki, A.K.3    Furuta, C.4    Watanabe, G.5    Taya, K.6
  • 16
    • 13444309269 scopus 로고    scopus 로고
    • Estrogenic and antiandrogenic activities of 17 benzophenone derivatives used as UV stabilizers and sunscreens
    • T. Suzuki, S. Kitamura, R. Khota, K. Sugihara, N. Fujimoto, and S. Ohta, Estrogenic and antiandrogenic activities of 17 benzophenone derivatives used as UV stabilizers and sunscreens, Toxicol. Appl. Pharmacol. 203 (2005), pp. 9-17.
    • (2005) Toxicol. Appl. Pharmacol , vol.203 , pp. 9-17
    • Suzuki, T.1    Kitamura, S.2    Khota, R.3    Sugihara, K.4    Fujimoto, N.5    Ohta, S.6
  • 17
    • 0001834754 scopus 로고    scopus 로고
    • Endocrine disruptors: Effects on sex steroid hormone receptors and sex development
    • R.J. Kavlock and G.P. Daston, eds., Springer, Berlin
    • W.R. Kelce and L.E. Gray, Endocrine disruptors: Effects on sex steroid hormone receptors and sex development, in Drug Toxicity in Embryonic Development II, R.J. Kavlock and G.P. Daston, eds., Springer, Berlin, 1997, pp. 435-474.
    • (1997) Drug Toxicity in Embryonic Development II , pp. 435-474
    • Kelce, W.R.1    Gray, L.E.2
  • 18
    • 0031752451 scopus 로고    scopus 로고
    • Inhibition of androgen receptor-dependent transcriptional activity by DDT isomers and methoxychlor in HepG2 human hepatoma cells
    • S.C. Maness, D.P. McDonnell, and K.W. Gaido, Inhibition of androgen receptor-dependent transcriptional activity by DDT isomers and methoxychlor in HepG2 human hepatoma cells, Toxicol. Appl. Pharmacol. 151 (1998), pp. 135-142.
    • (1998) Toxicol. Appl. Pharmacol , vol.151 , pp. 135-142
    • Maness, S.C.1    McDonnell, D.P.2    Gaido, K.W.3
  • 19
    • 0033931562 scopus 로고    scopus 로고
    • Cellular and molecular mechanisms of action of linuron: An antiandrogenic herbicide that produces reproductive malformations in male rats
    • C. Lambright, J. Ostby, K. Bobseine, V. Wilson, A.K. Hotchkiss, P.C. Mann, and L.E. Gray, Cellular and molecular mechanisms of action of linuron: An antiandrogenic herbicide that produces reproductive malformations in male rats, Toxicol. Sci. 56 (2000), pp. 389-399.
    • (2000) Toxicol. Sci , vol.56 , pp. 389-399
    • Lambright, C.1    Ostby, J.2    Bobseine, K.3    Wilson, V.4    Hotchkiss, A.K.5    Mann, P.C.6    Gray, L.E.7
  • 21
    • 0038746812 scopus 로고    scopus 로고
    • Antiandrogenic activity and metabolism of the organophosphorus pesticide fenthion and related compounds
    • S. Kitamura, T. Suzuki, S. Ohta, and N. Fujimoto, Antiandrogenic activity and metabolism of the organophosphorus pesticide fenthion and related compounds, Environ. Health Perspect. 111 (2003), pp. 503-508.
    • (2003) Environ. Health Perspect , vol.111 , pp. 503-508
    • Kitamura, S.1    Suzuki, T.2    Ohta, S.3    Fujimoto, N.4
  • 23
    • 1642493792 scopus 로고    scopus 로고
    • Development and standardization of a simple binding assay for the detection of compounds with affinity for the androgen receptor
    • A. Freyberger and H.J. Ahr, Development and standardization of a simple binding assay for the detection of compounds with affinity for the androgen receptor, Toxicology 195 (2004), pp. 113-126.
    • (2004) Toxicology , vol.195 , pp. 113-126
    • Freyberger, A.1    Ahr, H.J.2
  • 24
    • 20444470999 scopus 로고    scopus 로고
    • Screening for androgen receptor activities in 253 industrial chemicals by in vitro reporter gene assays using AR-EcoScreen™ cells
    • N. Araki, K. Ohno, M. Nakai, M. Takeyoshi, and M. Iida, Screening for androgen receptor activities in 253 industrial chemicals by in vitro reporter gene assays using AR-EcoScreen™ cells, Toxicol. In Vitro 19 (2005), pp. 831-842.
    • (2005) Toxicol. in Vitro , vol.19 , pp. 831-842
    • Araki, N.1    Ohno, K.2    Nakai, M.3    Takeyoshi, M.4    Iida, M.5
  • 26
    • 0029874114 scopus 로고    scopus 로고
    • Three-dimensional quantitative structure-activity relationships for androgen receptor ligands
    • C.L. Waller, B.W. Juma, L.E. Gray, and W.R. Kelce, Three-dimensional quantitative structure-activity relationships for androgen receptor ligands, Toxicol. Appl. Pharmacol. 137 (1996), pp. 219-227.
    • (1996) Toxicol. Appl. Pharmacol , vol.137 , pp. 219-227
    • Waller, C.L.1    Juma, B.W.2    Gray, L.E.3    Kelce, W.R.4
  • 27
    • 0027032097 scopus 로고
    • A comparison of progestin and androgen receptor binding using the CoMFA technique
    • D.A. Loughney and C.F. Schwender, A comparison of progestin and androgen receptor binding using the CoMFA technique, J. Comput.-Aided Mol. Des. 6 (1992), pp. 569-581.
    • (1992) J. Comput.-Aided Mol. Des , vol.6 , pp. 569-581
    • Loughney, D.A.1    Schwender, C.F.2
  • 28
    • 0344553518 scopus 로고    scopus 로고
    • Comparative molecular field analysis (CoMFA) model using a large diverse set of natural, synthetic and environmental chemicals for binding to the androgen receptor
    • H. Hong, H. Fang, Q. Xie, R. Perkins, D.M. Sheehan, and W. Tong, Comparative molecular field analysis (CoMFA) model using a large diverse set of natural, synthetic and environmental chemicals for binding to the androgen receptor, SAR QSAR Environ. Res. 14 (2003), pp. 373-388.
    • (2003) SAR QSAR Environ. Res , vol.14 , pp. 373-388
    • Hong, H.1    Fang, H.2    Xie, Q.3    Perkins, R.4    Sheehan, D.M.5    Tong, W.6
  • 30
    • 24644503995 scopus 로고    scopus 로고
    • QSAR study of natural, synthetic and environmental endocrine disrupting compounds for binding to the androgen receptor
    • C.Y. Zhao, R.S. Zhang, H.X. Zhang, C.X. Xue, H.X. Liu, M.C. Liu, Z.D. Hu, and B.T. Fan. QSAR study of natural, synthetic and environmental endocrine disrupting compounds for binding to the androgen receptor, SAR QSAR Environ. Res. 16 (2005), pp. 349-367.
    • (2005) SAR QSAR Environ. Res , vol.16 , pp. 349-367
    • Zhao, C.Y.1    Zhang, R.S.2    Zhang, H.X.3    Xue, C.X.4    Liu, H.X.5    Liu, M.C.6    Hu, Z.D.7    Fan, B.T.8
  • 35
    • 0009866185 scopus 로고    scopus 로고
    • An introduction to classification and regression tree (CART) analysis
    • San Francisco, California
    • R.J. Lewis, An introduction to classification and regression tree (CART) analysis, Annual Meeting of the Society for Emergency Medicine, San Francisco, California, 2000.
    • (2000) Annual Meeting of the Society for Emergency Medicine
    • Lewis, R.J.1
  • 38
    • 0000288016 scopus 로고
    • Calculating the singular values and pseudo-inverse of a matrix
    • G. Golub and W. Kahan, Calculating the singular values and pseudo-inverse of a matrix, J. SIAM Numer. Anal. Ser. B 3 (1965), pp. 205-224.
    • (1965) J. SIAM Numer. Anal. Ser. B , vol.3 , pp. 205-224
    • Golub, G.1    Kahan, W.2
  • 39
    • 0035261601 scopus 로고    scopus 로고
    • A general QSAR model for predicting the acute toxicity of pesticides to Lepomis macrochirus
    • J. Devillers, A general QSAR model for predicting the acute toxicity of pesticides to Lepomis macrochirus, SAR QSAR Environ. Res. 11 (2001), pp. 397-417.
    • (2001) SAR QSAR Environ. Res , vol.11 , pp. 397-417
    • Devillers, J.1
  • 42
    • 0034002401 scopus 로고    scopus 로고
    • Prediction of toxicity of organophosphorus insecticides against the midge, Chironomus riparius, via a QSAR neural network model integrating environmental variables
    • J. Devillers, Prediction of toxicity of organophosphorus insecticides against the midge, Chironomus riparius, via a QSAR neural network model integrating environmental variables, Toxicol. Methods 10 (2000), pp. 69-79.
    • (2000) Toxicol. Methods , vol.10 , pp. 69-79
    • Devillers, J.1
  • 44
    • 3242698658 scopus 로고    scopus 로고
    • Linear versus nonlinear QSAR modeling of the toxicity of phenol derivatives to Tetrahymena pyriformis
    • J. Devillers, Linear versus nonlinear QSAR modeling of the toxicity of phenol derivatives to Tetrahymena pyriformis, SAR QSAR Environ. Res. 15 (2004), pp. 237-249.
    • (2004) SAR QSAR Environ. Res , vol.15 , pp. 237-249
    • Devillers, J.1
  • 45
    • 0000381846 scopus 로고    scopus 로고
    • Strengths and weaknesses of the backpropagation neural network in QSAR and QSPR studies
    • J. Devillers, ed., Academic Press, London
    • J. Devillers, Strengths and weaknesses of the backpropagation neural network in QSAR and QSPR studies, in Neural Networks in QSAR and Drug Design, J. Devillers, ed., Academic Press, London, 1996, pp. 1-46.
    • (1996) Neural Networks in QSAR and Drug Design , pp. 1-46
    • Devillers, J.1
  • 48
    • 4043071270 scopus 로고    scopus 로고
    • Comparative study of QSAR/QSPR correlations using support vector machines, radial basis function neural networks, and multiple linear regression
    • X.J. Yao, A. Panaye, J.P. Doucet, R.S. Zhang, H.F. Chen, M.C. Liu, Z.D. Hu, and B.T. Fan, Comparative study of QSAR/QSPR correlations using support vector machines, radial basis function neural networks, and multiple linear regression, J. Chem. Inf. Comput. Sci. 44 (2004), pp. 1257-1266.
    • (2004) J. Chem. Inf. Comput. Sci , vol.44 , pp. 1257-1266
    • Yao, X.J.1    Panaye, A.2    Doucet, J.P.3    Zhang, R.S.4    Chen, H.F.5    Liu, M.C.6    Hu, Z.D.7    Fan, B.T.8
  • 49
    • 15744367392 scopus 로고    scopus 로고
    • Comparative classification study of toxicity mechanisms using support vector machines and radial basis function neural networks
    • X.J. Yao, A. Panaye, J.P. Doucet, H.F. Chen, R.S. Zhang, B.T. Fan, M.C. Liu, and Z.D. Hu, Comparative classification study of toxicity mechanisms using support vector machines and radial basis function neural networks, Anal. Chim. Acta 535 (2005), pp. 259-273.
    • (2005) Anal. Chim. Acta , vol.535 , pp. 259-273
    • Yao, X.J.1    Panaye, A.2    Doucet, J.P.3    Chen, H.F.4    Zhang, R.S.5    Fan, B.T.6    Liu, M.C.7    Hu, Z.D.8
  • 50
    • 33644766846 scopus 로고    scopus 로고
    • Quantitative structure-toxicity relationships (QSTRs): A comparative study of various nonlinear methods. General regression neural network, radial basis function neural network and support vector machine in predicting toxicity of nitro-and cyano-aromatics to Tetrahymena pyriformis
    • A. Panaye, B.T. Fan, J.P. Doucet, X.J. Yao, R.S. Zhang, M.C. Liu, and Z.D. Hu, Quantitative structure-toxicity relationships (QSTRs): A comparative study of various nonlinear methods. General regression neural network, radial basis function neural network and support vector machine in predicting toxicity of nitro-and cyano-aromatics to Tetrahymena pyriformis, SAR QSAR Environ. Res. 17 (2006), pp. 75-91.
    • (2006) SAR QSAR Environ. Res , vol.17 , pp. 75-91
    • Panaye, A.1    Fan, B.T.2    Doucet, J.P.3    Yao, X.J.4    Zhang, R.S.5    Liu, M.C.6    Hu, Z.D.7
  • 51
    • 0034903124 scopus 로고    scopus 로고
    • On the PNN modeling of estrogen receptor binding data for carboxylic acid esters and organochlorine compounds
    • K.L.E. Kaiser and S.P. Niculescu, On the PNN modeling of estrogen receptor binding data for carboxylic acid esters and organochlorine compounds, Water Qual. Res. J. Canada 36 (2001), pp. 619-630.
    • (2001) Water Qual. Res. J. Canada , vol.36 , pp. 619-630
    • Kaiser, K.L.E.1    Niculescu, S.P.2
  • 52
    • 0033151484 scopus 로고    scopus 로고
    • Using probabilistic neural networks to model the toxicity of chemicals to the fathead minnow (Pimephales promelas): A study based on 865 compounds
    • K.L.E. Kaiser and S.P. Niculescu, Using probabilistic neural networks to model the toxicity of chemicals to the fathead minnow (Pimephales promelas): A study based on 865 compounds, Chemosphere 38 (1999), pp. 3237-3245.
    • (1999) Chemosphere , vol.38 , pp. 3237-3245
    • Kaiser, K.L.E.1    Niculescu, S.P.2
  • 53
    • 0033834585 scopus 로고    scopus 로고
    • Modeling the toxicity of chemicals to Tetrahymena pyriformis using molecular fragment descriptors and probabilistic neural networks
    • S.P. Niculescu, K.L.E. Kaiser, and T.W. Schultz, Modeling the toxicity of chemicals to Tetrahymena pyriformis using molecular fragment descriptors and probabilistic neural networks, Arch. Environ. Contam. Toxicol. 39 (2000), pp. 289-298.
    • (2000) Arch. Environ. Contam. Toxicol , vol.39 , pp. 289-298
    • Niculescu, S.P.1    Kaiser, K.L.E.2    Schultz, T.W.3
  • 54
    • 0036490417 scopus 로고    scopus 로고
    • Probabilistic neural network modeling for the toxicity of chemicals to Tetrahymena pyriformis with molecular fragment descriptors
    • K.L.E. Kaiser, S.P. Niculescu, and T.W. Schultz, Probabilistic neural network modeling for the toxicity of chemicals to Tetrahymena pyriformis with molecular fragment descriptors, SAR QSAR Environ. Res. 13 (2002), pp. 57-67.
    • (2002) SAR QSAR Environ. Res , vol.13 , pp. 57-67
    • Kaiser, K.L.E.1    Niculescu, S.P.2    Schultz, T.W.3
  • 55
    • 0035145572 scopus 로고    scopus 로고
    • Modeling acute toxicity of chemicals to Daphnia magna: A probabilistic neural network approach
    • K.L.E. Kaiser and S.P. Niculescu, Modeling acute toxicity of chemicals to Daphnia magna: A probabilistic neural network approach, Environ. Toxicol. Chem. 20 (2001), pp. 420-431.
    • (2001) Environ. Toxicol. Chem , vol.20 , pp. 420-431
    • Kaiser, K.L.E.1    Niculescu, S.P.2
  • 57
    • 0035756635 scopus 로고    scopus 로고
    • QSAR modeling of large heterogeneous sets of molecules
    • J. Devillers, QSAR modeling of large heterogeneous sets of molecules, SAR QSAR Environ. Res. 12 (2001), pp. 515-528.
    • (2001) SAR QSAR Environ. Res , vol.12 , pp. 515-528
    • Devillers, J.1
  • 58
    • 1542426098 scopus 로고    scopus 로고
    • 2D QSAR consensus prediction for high-throughput virtual screening. An application to COX-2 inhibition modeling and screening of the NCI database
    • N. Baurin, J.C. Mozziconacci, E. Arnoult, P. Chavatte, C. Marot, and L. Morin-Allory, 2D QSAR consensus prediction for high-throughput virtual screening. An application to COX-2 inhibition modeling and screening of the NCI database, J. Chem. Inf. Comput. Sci. 44 (2004), pp. 276-285.
    • (2004) J. Chem. Inf. Comput. Sci , vol.44 , pp. 276-285
    • Baurin, N.1    Mozziconacci, J.C.2    Arnoult, E.3    Chavatte, P.4    Marot, C.5    Morin-Allory, L.6
  • 62
    • 34249753618 scopus 로고
    • Support vector networks
    • C. Cortes and V. Vapnik, Support vector networks, Machine Learning 20 (1995), pp. 273-297.
    • (1995) Machine Learning , vol.20 , pp. 273-297
    • Cortes, C.1    Vapnik, V.2
  • 63
    • 0345548661 scopus 로고    scopus 로고
    • Comparison of support vector machine and artificial neural network systems for drug/nondrug classification
    • E. Byvatov, U. Fechner, J. Sadowski, and G. Schneider, Comparison of support vector machine and artificial neural network systems for drug/nondrug classification, J. Chem. Inf. Comput. Sci. 43 (2003), pp. 1882-1889.
    • (2003) J. Chem. Inf. Comput. Sci , vol.43 , pp. 1882-1889
    • Byvatov, E.1    Fechner, U.2    Sadowski, J.3    Schneider, G.4
  • 64
    • 0344254815 scopus 로고    scopus 로고
    • Drug discovery using support vector machines. The case studies of drug-likeness, agrochemical-likeness, and enzyme inhibition predictions
    • V.V. Zernov, K.V. Balakin, A.A. Ivaschenko, N.P. Savchuk, and I.V. Pletnev, Drug discovery using support vector machines. The case studies of drug-likeness, agrochemical-likeness, and enzyme inhibition predictions, J. Chem. Inf. Comput. Sci. 43 (2003), pp. 2048-2056.
    • (2003) J. Chem. Inf. Comput. Sci , vol.43 , pp. 2048-2056
    • Zernov, V.V.1    Balakin, K.V.2    Ivaschenko, A.A.3    Savchuk, N.P.4    Pletnev, I.V.5
  • 65
    • 33750294461 scopus 로고    scopus 로고
    • The pharmacophore kernel for virtual screening with support vector machines
    • P. Mahé, L. Ralaivola, V. Stoven, and J.P. Vert, The pharmacophore kernel for virtual screening with support vector machines, J. Chem. Inf. Model. 46 (2006), pp. 2003-2014.
    • (2006) J. Chem. Inf. Model , vol.46 , pp. 2003-2014
    • Mahé, P.1    Ralaivola, L.2    Stoven, V.3    Vert, J.P.4
  • 66
    • 35248856018 scopus 로고    scopus 로고
    • A large descriptor set and a probabilistic kernelbased classifier significantly improve druglikeness classification
    • Q. Li, A. Bender, J. Pei, and L. Lai, A large descriptor set and a probabilistic kernelbased classifier significantly improve druglikeness classification, J. Chem. Inf. Model. 47 (2007), pp. 1776-1786.
    • (2007) J. Chem. Inf. Model , vol.47 , pp. 1776-1786
    • Li, Q.1    Bender, A.2    Pei, J.3    Lai, L.4
  • 67
    • 34547663158 scopus 로고    scopus 로고
    • Identifying P-glycoprotein substrates using a support vector machine optimized by a particle swarm
    • J. Huang, G. Ma, I. Muhammad, and Y. Cheng, Identifying P-glycoprotein substrates using a support vector machine optimized by a particle swarm, J. Chem. Inf. Mod. 47 (2007), pp. 1638-1647.
    • (2007) J. Chem. Inf. Mod , vol.47 , pp. 1638-1647
    • Huang, J.1    Ma, G.2    Muhammad, I.3    Cheng, Y.4
  • 68
    • 33749413725 scopus 로고    scopus 로고
    • Quantitative structure-property relationship studies on electrochemical degradation of substituted phenols using a support vector machine
    • S. Yuan, M. Xiao, G. Zheng, M. Tian, and X. Lu, Quantitative structure-property relationship studies on electrochemical degradation of substituted phenols using a support vector machine, SAR QSAR Environ. Res. 17 (2006), pp. 473-481.
    • (2006) SAR QSAR Environ. Res , vol.17 , pp. 473-481
    • Yuan, S.1    Xiao, M.2    Zheng, G.3    Tian, M.4    Lu, X.5
  • 70
    • 0000874557 scopus 로고
    • Theoretical foundations of the potential function method in pattern recognition learning
    • M. Aizerman, E. Braverman, and L. Rozonoer, Theoretical foundations of the potential function method in pattern recognition learning, Autom. Remote Control 25 (1964), pp. 821-837.
    • (1964) Autom. Remote Control , vol.25 , pp. 821-837
    • Aizerman, M.1    Braverman, E.2    Rozonoer, L.3
  • 71
    • 33845703344 scopus 로고    scopus 로고
    • What is a support vector machine?
    • W.S. Noble, What is a support vector machine? Nature Biotechnol. 24 (2006), pp. 1565-1567.
    • (2006) Nature Biotechnol , vol.24 , pp. 1565-1567
    • Noble, W.S.1
  • 72
    • 85055478965 scopus 로고    scopus 로고
    • e1071: Misc Functions of the Department of Statistics, TU Wien. R package version 1
    • E. Dimitriadou, K. Hornik, F. Leisch, D. Meyer, and A. Weingessel, e1071: Misc Functions of the Department of Statistics, TU Wien. R package version 1.5-16.
    • Dimitriadou, E.1    Hornik, K.2    Leisch, F.3    Meyer, D.4    Weingessel, A.5


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.