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Volumn 19, Issue 1-2, 2008, Pages 129-151

Decision trees versus support vector machine for classification of androgen receptor ligands

Author keywords

Androgen receptor; Decision tree; Endocrine disruptors; Partitioning; Support vector machine

Indexed keywords

BINDING ENERGY; CLASSIFICATION (OF INFORMATION); DECISION TREES; INDICATORS (CHEMICAL); INDUSTRIAL CHEMICALS; QUANTUM CHEMISTRY;

EID: 40249111659     PISSN: 1062936X     EISSN: 1029046X     Source Type: Journal    
DOI: 10.1080/10629360701843441     Document Type: Article
Times cited : (20)

References (24)
  • 2
    • 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 et al., 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
  • 3
    • 0029874114 scopus 로고    scopus 로고
    • Three-dimensional quantitative structure-activity relationships for androgen receptor ligands
    • C.L. Waller et al., 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
  • 4
    • 0034736085 scopus 로고    scopus 로고
    • Chiral derivatives of 2-cyclohexylideneperhydro-4, 7-methanoindenes, a novel class of nonsteroidal androgen receptor ligand: synthesis, X-ray analysis and biological activity
    • P.M. Burden et al., Chiral derivatives of 2-cyclohexylideneperhydro-4, 7-methanoindenes, a novel class of nonsteroidal androgen receptor ligand: synthesis, X-ray analysis and biological activity, J. Med. Chem. 43 (2000), pp. 4629-4635.
    • (2000) J. Med. Chem , vol.43 , pp. 4629-4635
    • Burden, P.M.1
  • 5
    • 3142617910 scopus 로고    scopus 로고
    • Ligand-based approach to identify quantitative structure activity relationships for the androgen receptor
    • C.E. Bohl et al., Ligand-based approach to identify quantitative structure activity relationships for the androgen receptor, J. Med. Chem, 47 (2004), pp. 3765-3776.
    • (2004) J. Med. Chem , vol.47 , pp. 3765-3776
    • Bohl, C.E.1
  • 6
    • 33748763282 scopus 로고    scopus 로고
    • Structural basis for androgen receptor agonists and antagonists: Interaction of SPEED 98-listed chemicals and related compounds with the androgen receptor based on an in vitro reporter gene assay and 3D-QSAR
    • H. Tamura et al., Structural basis for androgen receptor agonists and antagonists: Interaction of SPEED 98-listed chemicals and related compounds with the androgen receptor based on an in vitro reporter gene assay and 3D-QSAR, Biorg. Med. Chem. 14 (2006), pp. 7160-7174.
    • (2006) Biorg. Med. Chem , vol.14 , pp. 7160-7174
    • Tamura, H.1
  • 7
    • 24744458589 scopus 로고    scopus 로고
    • Impact of induced fit on ligand binding to the androgen receptor: a multidimensional QSAR study to predict endocrine-disrupting effects of environmental chemicals
    • M.A. Lill et al., Impact of induced fit on ligand binding to the androgen receptor: a multidimensional QSAR study to predict endocrine-disrupting effects of environmental chemicals, J. Med. Chem, 48 (2005), pp. 5666-5674.
    • (2005) J. Med. Chem , vol.48 , pp. 5666-5674
    • Lill, M.A.1
  • 8
    • 13944264638 scopus 로고    scopus 로고
    • Three-dimensional structure-activity relationships of nonsteroidal ligands in complex with androgen receptor ligand-binding domain
    • A.A. Söderholm, P.T. Lehtovuori, and T.H. Nyrönen, Three-dimensional structure-activity relationships of nonsteroidal ligands in complex with androgen receptor ligand-binding domain, J. Med. Chem. 48 (2005), pp. 917-925.
    • (2005) J. Med. Chem , vol.48 , pp. 917-925
    • Söderholm, A.A.1    Lehtovuori, P.T.2    Nyrönen, T.H.3
  • 9
    • 24644503995 scopus 로고    scopus 로고
    • QSAR study of natural, synthetic and environmental endocrine disrupting compounds for binding to the androgen receptor
    • C.Y. Zhao et al., 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
  • 10
    • 0027032097 scopus 로고
    • A comparison of progestin and androgen receptor binding using the CoMFA technique
    • D.A. Loughney and CF. 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, CF.2
  • 11
    • 0035942522 scopus 로고    scopus 로고
    • Homology modeling using multiple molecular dynamics simulations and docking studies of the human androgen receptor ligand binding domain bound to testosterone and nonsteroidal ligands
    • C.A. Marhefka et al., Homology modeling using multiple molecular dynamics simulations and docking studies of the human androgen receptor ligand binding domain bound to testosterone and nonsteroidal ligands, J. Med. Chem. 44 (2001), pp. 1729-1740.
    • (2001) J. Med. Chem , vol.44 , pp. 1729-1740
    • Marhefka, C.A.1
  • 12
    • 0037424616 scopus 로고    scopus 로고
    • Rule interpreter: a chemical language for structure-based screening
    • S. Karabunarliev et al., Rule interpreter: a chemical language for structure-based screening, J. Mol. Struct. (Theochem) 622 (2003), pp. 53-62.
    • (2003) J. Mol. Struct. (Theochem) , vol.622 , pp. 53-62
    • Karabunarliev, S.1
  • 13
    • 0036491397 scopus 로고    scopus 로고
    • Androgen receptor binding affinity of pesticide active formulation ingredients. QSAR evaluation by COREPA method
    • R. Serafimova, J. Walker, and O. Mekenyan, Androgen receptor binding affinity of pesticide active formulation ingredients. QSAR evaluation by COREPA method, SAR QSAR Environ, Res. 13 (2002), pp. 127-134.
    • (2002) SAR QSAR Environ, Res , vol.13 , pp. 127-134
    • Serafimova, R.1    Walker, J.2    Mekenyan, O.3
  • 14
    • 10744231103 scopus 로고    scopus 로고
    • Study of 202 natural, synthetic and environmental chemicals for binding to the androgen receptor
    • H. Fang et al., Study of 202 natural, synthetic and environmental chemicals for binding to the androgen receptor, Chem. Res. Toxicol. 16 (2003), pp. 1338-1358.
    • (2003) Chem. Res. Toxicol , vol.16 , pp. 1338-1358
    • Fang, H.1
  • 16
    • 0004159895 scopus 로고
    • Harcourt Brace Javanovich Publishers, San Diego
    • N. Cliff, Analyzing Multivariate Data, Harcourt Brace Javanovich Publishers, San Diego, 1987.
    • (1987) Analyzing Multivariate Data
    • Cliff, N.1
  • 19
    • 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
  • 20
    • 85194971897 scopus 로고    scopus 로고
    • Non linear SVM approaches to QSPR/QSAR studies and Drug Design
    • Press
    • J.P. Doucet, et al., Non linear SVM approaches to QSPR/QSAR studies and Drug Design, Cur. Comput. -Aided Drug Des. In Press.
    • Cur. Comput. -Aided Drug Des
    • Doucet, J.P.1
  • 23
    • 5344244656 scopus 로고    scopus 로고
    • R Foundation for Statistical Computing, Vienna, Austria. ISBN 3-900051-07-0
    • R Development Core team, R: A language and environment for statistical computing. R Foundation for Statistical Computing, Vienna, Austria. ISBN 3-900051-07-0, URL http:// www.R-project.org. 2007.
    • (2007) R: A language and environment for statistical computing


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.