메뉴 건너뛰기




Volumn 3077, Issue , 2004, Pages 334-343

Application of Breiman's Random Forest to modeling structure-activity relationships of pharmaceutical molecules

Author keywords

[No Author keywords available]

Indexed keywords

BIOACTIVITY; COMPUTATIONAL CHEMISTRY; LEAST SQUARES APPROXIMATIONS; MOLECULES;

EID: 35048900518     PISSN: 03029743     EISSN: 16113349     Source Type: Book Series    
DOI: 10.1007/978-3-540-25966-4_33     Document Type: Article
Times cited : (213)

References (17)
  • 1
    • 0037076322 scopus 로고    scopus 로고
    • Selection bias in gene extraction on the basis of microarray gene-expression data
    • [Amb02]
    • [Amb02] Ambroise, C., McLachlan, G. J.: Selection bias in gene extraction on the basis of microarray gene-expression data. Proc. Natl. Acad. Sci. USA 99 (2002) 6562-6566
    • (2002) Proc. Natl. Acad. Sci. USA , vol.99 , pp. 6562-6566
    • Ambroise, C.1    McLachlan, G.J.2
  • 2
    • 0034676318 scopus 로고    scopus 로고
    • Classification of multidrug-resistance reversal agents using structure-based descriptors and linear discriminant analysis
    • [Bak00]
    • [Bak00] Bakken, G. A., Jurs, P. C., Classification of multidrug-resistance reversal agents using structure-based descriptors and linear discriminant analysis. J. Med. Chem. 43 (2000) 4534-4541
    • (2000) J. Med. Chem. , vol.43 , pp. 4534-4541
    • Bakken, G.A.1    Jurs, P.C.2
  • 3
    • 0346786584 scopus 로고    scopus 로고
    • Arcing classifiers
    • [Bre98]
    • [Bre98] Breiman, L.: Arcing classifiers. Ann. Stat. 26 (1998) 801-849
    • (1998) Ann. Stat. , vol.26 , pp. 801-849
    • Breiman, L.1
  • 4
    • 0035478854 scopus 로고    scopus 로고
    • Random forests
    • [Bre01]
    • [Bre01] Breiman, L.: Random forests. Machine Learning 45 (2001) 5-32
    • (2001) Machine Learning , vol.45 , pp. 5-32
    • Breiman, L.1
  • 5
    • 12244271454 scopus 로고    scopus 로고
    • Predicting CNS permeability of drug molecules: Comparison of neural network and support vector machine algorithms
    • [Don02]
    • [Don02] Doniger, S., Hofmann, T., Yeh, J.: Predicting CNS permeability of drug molecules: comparison of neural network and support vector machine algorithms. J. Comput. Biol. 9 (2002) 849-864
    • (2002) J. Comput. Biol. , vol.9 , pp. 849-864
    • Doniger, S.1    Hofmann, T.2    Yeh, J.3
  • 6
    • 0034460173 scopus 로고    scopus 로고
    • Progress in predicting human ADME parameters in silico
    • [Eki00]
    • [Eki00] Ekins, S. et al.: Progress in predicting human ADME parameters in silico. J. Pharmac. Toxic. Meth. 44 (2000) 251-272
    • (2000) J. Pharmac. Toxic. Meth. , vol.44 , pp. 251-272
    • Ekins, S.1
  • 8
    • 0026452029 scopus 로고
    • Novel piperidine σ receptor ligands as potential antipsy-chotic drugs
    • [Gil92]
    • [Gil92] Gilligan, P. J. et al.: Novel piperidine σ receptor ligands as potential antipsy-chotic drugs. J. Med. Chem. 35 (1992) 4344-4361
    • (1992) J. Med. Chem. , vol.35 , pp. 4344-4361
    • Gilligan, P.J.1
  • 9
    • 0036161259 scopus 로고    scopus 로고
    • Gene selection for cancer classification using support vector machines
    • [Guy02]
    • [Guy02] Guyon, I., Weston, J., Barnhill, S., Vapnik, V.: Gene selection for cancer classification using support vector machines. Machine Learning 46 (2002) 389-422
    • (2002) Machine Learning , vol.46 , pp. 389-422
    • Guyon, I.1    Weston, J.2    Barnhill, S.3    Vapnik, V.4
  • 11
  • 12
    • 0035498337 scopus 로고    scopus 로고
    • QSAR and k-nearest neighbor classification analysis of selective cyclooxygenase-2 inhibitors using topologically-based numerical descriptors
    • [Kau01]
    • [Kau01] Kauffman, G. W., Jurs, P. C.: QSAR and k-nearest neighbor classification analysis of selective cyclooxygenase-2 inhibitors using topologically-based numerical descriptors. J. Chem. Inf. Comput. Sci. 41 (2001) 1553-1560
    • (2001) J. Chem. Inf. Comput. Sci. , vol.41 , pp. 1553-1560
    • Kauffman, G.W.1    Jurs, P.C.2
  • 13
    • 0345040873 scopus 로고    scopus 로고
    • Classification and regression by randomForest
    • [Lia02]
    • [Lia02] Liaw, A., Wiener, M.: Classification and regression by randomForest. R News 2/3 (2002) 18-22
    • (2002) R News , vol.2-3 , pp. 18-22
    • Liaw, A.1    Wiener, M.2
  • 14
    • 0037171818 scopus 로고    scopus 로고
    • A computational ensemble pharmacophore model for identifying substrates of p-glycoprotein
    • [Pen02]
    • [Pen02] Penzotti, J. E., Lamb, M. L., Evensen, E., Grootenhuis, P. D. J.: A computational ensemble pharmacophore model for identifying substrates of p-glycoprotein. J. Med. Chem. 45 (2002) 1737-1740
    • (2002) J. Med. Chem. , vol.45 , pp. 1737-1740
    • Penzotti, J.E.1    Lamb, M.L.2    Evensen, E.3    Grootenhuis, P.D.J.4
  • 15
    • 84890445089 scopus 로고    scopus 로고
    • Overfitting in making comparisons between variable selection methods
    • [Reu03]
    • [Reu03] Reunanen, J.: Overfitting in making comparisons between variable selection methods. J. Machine Learning Res. 3 (2003) 1371-1382
    • (2003) J. Machine Learning Res. , vol.3 , pp. 1371-1382
    • Reunanen, J.1
  • 16
    • 0345548657 scopus 로고    scopus 로고
    • QSAR modeling using Random Forest, an ensemble learning tool for regression and classification
    • [Sve03]
    • [Sve03] Svetnik, V., Liaw, A., Tong, C., Culberson, J. C., Sheridan, R. P., Feuston, B. P.: QSAR modeling using Random Forest, an ensemble learning tool for regression and classification. J. Chem. Inf. Comput. Sci. 43 (2003) 1947-1958
    • (2003) J. Chem. Inf. Comput. Sci. , vol.43 , pp. 1947-1958
    • Svetnik, V.1    Liaw, A.2    Tong, C.3    Culberson, J.C.4    Sheridan, R.P.5    Feuston, B.P.6
  • 17
    • 0037365123 scopus 로고    scopus 로고
    • Decision forest: Combining the predictions of multiple independent decision tree models
    • [Ton03]
    • [Ton03] Tong, W.; Hong, H.; Fang, H.; Xie, Q.; Perkins, R.: Decision forest: combining the predictions of multiple independent decision tree models. J. Chem. Inf. Comput. Sci. 43 (2003) 525-531
    • (2003) J. Chem. Inf. Comput. Sci. , vol.43 , pp. 525-531
    • Tong, W.1    Hong, H.2    Fang, H.3    Xie, Q.4    Perkins, R.5


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.