메뉴 건너뛰기




Volumn 21, Issue 5-6, 2007, Pages 239-250

Correlation weighted successive projections algorithm as a novel method for variable selection in QSAR studies: Investigation of anti-HIV activity of HEPT derivatives

Author keywords

Anti HIV HEPT derivatives; QSAR; Radial basis function networks; Successive projections algorithm

Indexed keywords

COMPUTATIONAL CHEMISTRY; FORECASTING; MOLECULAR GRAPHICS; NETWORK LAYERS;

EID: 34948832001     PISSN: 08869383     EISSN: 1099128X     Source Type: Journal    
DOI: 10.1002/cem.1073     Document Type: Article
Times cited : (19)

References (46)
  • 2
    • 0033628605 scopus 로고    scopus 로고
    • Use of artificial neural networks in a QSAR study of anti-HIV activity for a large group of HEPT derivatives
    • Jalali-Heravi M, Parastar F. Use of artificial neural networks in a QSAR study of anti-HIV activity for a large group of HEPT derivatives. J. Chem. Inf. Comp. Sci. 2000; 40: 147-154.
    • (2000) J. Chem. Inf. Comp. Sci , vol.40 , pp. 147-154
    • Jalali-Heravi, M.1    Parastar, F.2
  • 3
    • 0030959678 scopus 로고    scopus 로고
    • Modelling of gas chromatographic retention indices using counter-propagation neural networks
    • Pompe M, Razinger M, Novic M, Veber M. Modelling of gas chromatographic retention indices using counter-propagation neural networks. Anal. Chim. Acta 1997; 348: 215-221.
    • (1997) Anal. Chim. Acta , vol.348 , pp. 215-221
    • Pompe, M.1    Razinger, M.2    Novic, M.3    Veber, M.4
  • 4
    • 0034642825 scopus 로고    scopus 로고
    • Local modelling with radial basis function networks
    • Walkzak B, Massart DL. Local modelling with radial basis function networks. Chemom. Intell. Lab. Syst. 2000; 50: 179-198.
    • (2000) Chemom. Intell. Lab. Syst , vol.50 , pp. 179-198
    • Walkzak, B.1    Massart, D.L.2
  • 5
    • 0032490671 scopus 로고    scopus 로고
    • Optimisation of radial basis function neural networks using biharmonic spline interpolation
    • Tetteh J, Howells SL, Metcalfe E, Suzuki T. Optimisation of radial basis function neural networks using biharmonic spline interpolation. Chemom. Intell. Lab. Syst. 1998; 41: 17-29.
    • (1998) Chemom. Intell. Lab. Syst , vol.41 , pp. 17-29
    • Tetteh, J.1    Howells, S.L.2    Metcalfe, E.3    Suzuki, T.4
  • 7
    • 0032760773 scopus 로고    scopus 로고
    • Classification of analytical images with radial basis function networks and forward selection
    • Stubbings T, Hutter H. Classification of analytical images with radial basis function networks and forward selection. Chemom. Intell. Lab. Syst. 1999; 49: 163-172.
    • (1999) Chemom. Intell. Lab. Syst , vol.49 , pp. 163-172
    • Stubbings, T.1    Hutter, H.2
  • 8
    • 0029959906 scopus 로고    scopus 로고
    • Optimisation of radial basis and backpropagation neural networks for modelling auto-ignition temperature by quantitative-structure property relationships
    • Tetteh J, Metcalfe E, Howells SL. Optimisation of radial basis and backpropagation neural networks for modelling auto-ignition temperature by quantitative-structure property relationships. Chemom. Intell. Lab. Syst. 1996; 32: 177-191.
    • (1996) Chemom. Intell. Lab. Syst , vol.32 , pp. 177-191
    • Tetteh, J.1    Metcalfe, E.2    Howells, S.L.3
  • 9
    • 0027667984 scopus 로고
    • Evaluation of neural networks based on radial basis functions and their application to the prediction of boiling points from structural parameters
    • Lohniger H. Evaluation of neural networks based on radial basis functions and their application to the prediction of boiling points from structural parameters. J. Chem. Inf. Comput. Sci. 1993; 33: 736-744.
    • (1993) J. Chem. Inf. Comput. Sci , vol.33 , pp. 736-744
    • Lohniger, H.1
  • 10
    • 0031085412 scopus 로고    scopus 로고
    • QSAR based on multiple linear regression and PLS methods for the anti-HIV activity of a large group of HEPT derivatives
    • Luco JM, Ferretti FH. QSAR based on multiple linear regression and PLS methods for the anti-HIV activity of a large group of HEPT derivatives. J. Chem. Inf. Comp. Sci. 1997; 37: 392-401.
    • (1997) J. Chem. Inf. Comp. Sci , vol.37 , pp. 392-401
    • Luco, J.M.1    Ferretti, F.H.2
  • 11
    • 0346207528 scopus 로고    scopus 로고
    • Comparative quantitative structure-activity relationship studies on anti-HIV drugs
    • Garg R, Gupta SP, Gao H, Babu MS, Debnath AK. Comparative quantitative structure-activity relationship studies on anti-HIV drugs. Chem. Rev. 1999; 99: 3525-3601.
    • (1999) Chem. Rev , vol.99 , pp. 3525-3601
    • Garg, R.1    Gupta, S.P.2    Gao, H.3    Babu, M.S.4    Debnath, A.K.5
  • 12
    • 0031449527 scopus 로고    scopus 로고
    • 3D QSAR study of a series of HEPT analogues: The influence of conformational mobility on HIV-1 reverse transcriptase inhibition
    • Kireev DB, Chretien JR, Griersson DS, Monneret CA. 3D QSAR study of a series of HEPT analogues: the influence of conformational mobility on HIV-1 reverse transcriptase inhibition. J. Med. Chem. 1997; 40: 4257-4264.
    • (1997) J. Med. Chem , vol.40 , pp. 4257-4264
    • Kireev, D.B.1    Chretien, J.R.2    Griersson, D.S.3    Monneret, C.A.4
  • 13
    • 0035324943 scopus 로고    scopus 로고
    • 3D-quantitative structure-activity relationships of HEPT derivatives as HIV-1 reverse transcriptase inhibitors based on Ab initio calculations
    • Hannongbua S, Nivesnanond K, Lawtrakul L, Pungpo P, Wolschann P. 3D-quantitative structure-activity relationships of HEPT derivatives as HIV-1 reverse transcriptase inhibitors based on Ab initio calculations. J. Chem. Inf. Comp. Sci. 2001; 41: 848-855.
    • (2001) J. Chem. Inf. Comp. Sci , vol.41 , pp. 848-855
    • Hannongbua, S.1    Nivesnanond, K.2    Lawtrakul, L.3    Pungpo, P.4    Wolschann, P.5
  • 15
    • 1842740163 scopus 로고    scopus 로고
    • QSTR with extended topochemical atom indices-2: Fish toxicity of substituted benzenes
    • Roy K, Ghosh G. QSTR with extended topochemical atom indices-2: fish toxicity of substituted benzenes. J. Chem. Inf. Comp. Sci. 2004; 44: 559-567.
    • (2004) J. Chem. Inf. Comp. Sci , vol.44 , pp. 559-567
    • Roy, K.1    Ghosh, G.2
  • 16
    • 85153981810 scopus 로고    scopus 로고
    • Silva APD. discarding variables in principal component analysis: algorithms for all-subsets comparisons. Comput. Statist. 2002; 17: 251-271.
    • Silva APD. discarding variables in principal component analysis: algorithms for all-subsets comparisons. Comput. Statist. 2002; 17: 251-271.
  • 17
    • 4143060309 scopus 로고    scopus 로고
    • Genetic algorithm-based method for selecting conditions in multivariate determination of povidone-iodine using hand scanner
    • Kompany-Zareh M, Mirzaei M. Genetic algorithm-based method for selecting conditions in multivariate determination of povidone-iodine using hand scanner. Anal. Chim. Acta 2004; 521: 231-236.
    • (2004) Anal. Chim. Acta , vol.521 , pp. 231-236
    • Kompany-Zareh, M.1    Mirzaei, M.2
  • 19
    • 84984311346 scopus 로고
    • A correlation principal component regression analysis of NIR data
    • Sun J. A correlation principal component regression analysis of NIR data. J. Chemometrics 1995; 9: 21-29.
    • (1995) J. Chemometrics , vol.9 , pp. 21-29
    • Sun, J.1
  • 20
    • 0032206032 scopus 로고    scopus 로고
    • comparison of prediction and correlation-based methods to select the best subset of principal components for principal component regression and detect outlying objects
    • Verdu-Andres J, Massart DL. comparison of prediction and correlation-based methods to select the best subset of principal components for principal component regression and detect outlying objects. Appl. Spectrosc. 1998; 52: 1425-1434.
    • (1998) Appl. Spectrosc , vol.52 , pp. 1425-1434
    • Verdu-Andres, J.1    Massart, D.L.2
  • 21
    • 0034648775 scopus 로고    scopus 로고
    • Genetic algorithms applied to the selection of factors in principal component regression
    • Depczynski U, Frost VJ, Molt K. Genetic algorithms applied to the selection of factors in principal component regression. Anal. Chim. Acta, 2000; 420: 217-227.
    • (2000) Anal. Chim. Acta , vol.420 , pp. 217-227
    • Depczynski, U.1    Frost, V.J.2    Molt, K.3
  • 22
    • 0029011730 scopus 로고
    • Toward improved anti-HIV chemotherapy. Therapeutic strategies for intervention with HIV infection
    • De Clercq E. Toward improved anti-HIV chemotherapy. Therapeutic strategies for intervention with HIV infection. J. Med. Chem. 1995; 38: 2491-2517.
    • (1995) J. Med. Chem , vol.38 , pp. 2491-2517
    • De Clercq, E.1
  • 23
    • 0028915128 scopus 로고
    • Multiple effects of mutations in human immunodeficiency virus type 1 integrase on viral replication
    • Engelman A, Englund G, Orenstein JM, Martin MA, Craigie R. Multiple effects of mutations in human immunodeficiency virus type 1 integrase on viral replication. J. Virol. 1995; 69: 2729-2736.
    • (1995) J. Virol , vol.69 , pp. 2729-2736
    • Engelman, A.1    Englund, G.2    Orenstein, J.M.3    Martin, M.A.4    Craigie, R.5
  • 24
    • 0025186450 scopus 로고
    • Molecular targets for AIDS therapy
    • Mitsuya H, Yarchoan R, Broder S. Molecular targets for AIDS therapy. Science 1990; 249: 1533-1544.
    • (1990) Science , vol.249 , pp. 1533-1544
    • Mitsuya, H.1    Yarchoan, R.2    Broder, S.3
  • 25
    • 0026620579 scopus 로고
    • Highly potent and selective inhibition of human immunodeficiency virus type 1 (HIV-1) by the HIV-1-specific reverse transcriptase inhibitors
    • Baba M, Debyser Z, Shigeta S, De Clercq E. Highly potent and selective inhibition of human immunodeficiency virus type 1 (HIV-1) by the HIV-1-specific reverse transcriptase inhibitors. Drugs Future 1992; 17: 891-897.
    • (1992) Drugs Future , vol.17 , pp. 891-897
    • Baba, M.1    Debyser, Z.2    Shigeta, S.3    De Clercq, E.4
  • 28
    • 0032918170 scopus 로고    scopus 로고
    • Perspective of non-nucloside reverse transcriptase inhibitors (NNRTIs) in the therapy of HIV-1 infection
    • De Clercq E. Perspective of non-nucloside reverse transcriptase inhibitors (NNRTIs) in the therapy of HIV-1 infection. Il Farmaco 1999; 54: 26-45.
    • (1999) Il Farmaco , vol.54 , pp. 26-45
    • De Clercq, E.1
  • 29
    • 0028924567 scopus 로고
    • Mechanism of inhibition of HIV-1 reverse transcriptase by non-nucloside inhibitors
    • Esnouf R, Ren J, Ross C, Jones Y, Stammers D, Stuart D. Mechanism of inhibition of HIV-1 reverse transcriptase by non-nucloside inhibitors. Struct. Boil. 1995; 2: 303-308.
    • (1995) Struct. Boil , vol.2 , pp. 303-308
    • Esnouf, R.1    Ren, J.2    Ross, C.3    Jones, Y.4    Stammers, D.5    Stuart, D.6
  • 30
    • 0026543676 scopus 로고
    • Structure-activity relationships of 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)-thiamine analogues: Effect of substitutions at the C-6 phenyl ring and the C-5 position on anti-HIV-1 activity
    • Tanaka H, Takashima H, Ubasawa M, Sekiya K, Nitta I, Baba M, Shigata S, Walker RT, DeClercq E, Miyasaka T. Structure-activity relationships of 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)-thiamine analogues: Effect of substitutions at the C-6 phenyl ring and the C-5 position on anti-HIV-1 activity. J. Med. Chem. 1992; 35: 337-345.
    • (1992) J. Med. Chem , vol.35 , pp. 337-345
    • Tanaka, H.1    Takashima, H.2    Ubasawa, M.3    Sekiya, K.4    Nitta, I.5    Baba, M.6    Shigata, S.7    Walker, R.T.8    DeClercq, E.9    Miyasaka, T.10
  • 31
    • 0027094782 scopus 로고
    • Synthesis and antiviral activity of deoxy analogous of 1-[(2-hydroxyethoxy)-methyl]-6-(phenylthio)thymine (HEPT) as potent and selective anti-HIV agents
    • Tanaka H, Takashima H, Ubasawa M, Sekiya K, Nitta I, Baba M, Shigeta S, Walker RT, DeClercq E, Miyasaka T. Synthesis and antiviral activity of deoxy analogous of 1-[(2-hydroxyethoxy)-methyl]-6-(phenylthio)thymine (HEPT) as potent and selective anti-HIV agents. J. Med. Chem. 1992; 35: 4713-4719.
    • (1992) J. Med. Chem , vol.35 , pp. 4713-4719
    • Tanaka, H.1    Takashima, H.2    Ubasawa, M.3    Sekiya, K.4    Nitta, I.5    Baba, M.6    Shigeta, S.7    Walker, R.T.8    DeClercq, E.9    Miyasaka, T.10
  • 32
    • 0036062152 scopus 로고    scopus 로고
    • Systematic evaluation of the benefits and hazards of variable selection in latent regression - Part I: Search algorithm, theory and simulations
    • Burmann K, Albert H, von Korff MA. Systematic evaluation of the benefits and hazards of variable selection in latent regression - Part I: search algorithm, theory and simulations. J. Chemometrics 2002; 16: 339-350.
    • (2002) J. Chemometrics , vol.16 , pp. 339-350
    • Burmann, K.1    Albert, H.2    von Korff, M.A.3
  • 33
    • 0042199118 scopus 로고    scopus 로고
    • Neural networks: Accurate nonlinear QSAR model for HEPT derivatives
    • Douali L, Villemin D, Cherqaoui D. Neural networks: accurate nonlinear QSAR model for HEPT derivatives. J. Chem. Inf. Comp. Sci. 2003; 43: 1200-1207.
    • (2003) J. Chem. Inf. Comp. Sci , vol.43 , pp. 1200-1207
    • Douali, L.1    Villemin, D.2    Cherqaoui, D.3
  • 34
    • 33847272257 scopus 로고    scopus 로고
    • Application of radial basis function networks and successive projections algorithm in a QSAR study of anti-HIV activity for a large group of HEPT derivatives
    • Akhlaghi Y, Kompany-Zareh M. Application of radial basis function networks and successive projections algorithm in a QSAR study of anti-HIV activity for a large group of HEPT derivatives. J. Chemometrics 2006; 20: 1-12.
    • (2006) J. Chemometrics , vol.20 , pp. 1-12
    • Akhlaghi, Y.1    Kompany-Zareh, M.2
  • 36
    • 0036554692 scopus 로고    scopus 로고
    • HEPT derivatives as non-nucloside inhibitors of HIV-1 reverse transcriptase: QSAR studies agree with the crystal structure
    • Gaudio AC, Montanari CA. HEPT derivatives as non-nucloside inhibitors of HIV-1 reverse transcriptase: QSAR studies agree with the crystal structure. J. Comput. Aided Mol. Des. 2002; 16: 287-295.
    • (2002) J. Comput. Aided Mol. Des , vol.16 , pp. 287-295
    • Gaudio, A.C.1    Montanari, C.A.2
  • 40
    • 85153984847 scopus 로고    scopus 로고
    • Hansch C, Leo A, Hoekman D. Hydrophobic Electronic and Steric Constants, 2 of Exploring QSAR. American Chemical Society: Washington DC, 1995; 217-304.
    • Hansch C, Leo A, Hoekman D. Hydrophobic Electronic and Steric Constants, Vol. 2 of Exploring QSAR. American Chemical Society: Washington DC, 1995; 217-304.
  • 42
    • 0035353644 scopus 로고    scopus 로고
    • Novel shape descriptors for molecular graphs
    • Randic M. Novel shape descriptors for molecular graphs. J. Chem. Inf. Comput. Sci. 2001; 41: 607-613.
    • (2001) J. Chem. Inf. Comput. Sci , vol.41 , pp. 607-613
    • Randic, M.1
  • 43
    • 0031231724 scopus 로고    scopus 로고
    • The utilization of reduced dimensional representations of molecular structure
    • Robinson DD, Barlow TW, Richards WG. The utilization of reduced dimensional representations of molecular structure. J. Chem. Inf. Comput. Sci. 1997; 37: 939.
    • (1997) J. Chem. Inf. Comput. Sci , vol.37 , pp. 939
    • Robinson, D.D.1    Barlow, T.W.2    Richards, W.G.3
  • 44
    • 85153981243 scopus 로고    scopus 로고
    • HyperChem™ version 7.0, Molecular Modeling System, Hypercube: Waterloo, Ont, Canada, 2000
    • HyperChem™ version 7.0., Molecular Modeling System, Hypercube: Waterloo, Ont., Canada, 2000.
  • 45
    • 0002938511 scopus 로고    scopus 로고
    • Eccentric connectivity index: A novel highly discriminating topological descriptor for structure-property and structure-activity studies
    • Sharma V, Gosvami R, Madan AK. Eccentric connectivity index: a novel highly discriminating topological descriptor for structure-property and structure-activity studies. J. Chem. Int. Comput. Sci. 1997; 37: 273-282.
    • (1997) J. Chem. Int. Comput. Sci , vol.37 , pp. 273-282
    • Sharma, V.1    Gosvami, R.2    Madan, A.K.3
  • 46
    • 5244364136 scopus 로고    scopus 로고
    • The discrimination ability of some topological and information distance indices for graphs of unbranched hexagonal systems
    • Konstantinova EV. The discrimination ability of some topological and information distance indices for graphs of unbranched hexagonal systems. J. Chem. Int. Comput. Sci. 1997; 36: 54-57.
    • (1997) J. Chem. Int. Comput. Sci , vol.36 , pp. 54-57
    • Konstantinova, E.V.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.