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Volumn 78, Issue 6, 2011, Pages 948-959

QSAR models for phosphoramidate prodrugs of 2'-methylcytidine as inhibitors of hepatitis C virus based on PSO boosting

Author keywords

Boosting regression; Hepatitis C virus; Phosphoramidate prodrugs of 2' methylcytidine; Quantitative structure activity relationship; Support vector machine

Indexed keywords

2' METHYLCYTIDINE PHOSPHORAMIDATE DERIVATIVE; ANTIVIRUS AGENT; PRODRUG; UNCLASSIFIED DRUG;

EID: 81355132236     PISSN: 17470277     EISSN: 17470285     Source Type: Journal    
DOI: 10.1111/j.1747-0285.2011.01236.x     Document Type: Article
Times cited : (9)

References (45)
  • 2
    • 23944506014 scopus 로고    scopus 로고
    • Global epidemiology of hepatitis C virus infection
    • Shepard C.W., Finelli L., Alter M.J. (2005) Global epidemiology of hepatitis C virus infection. Lancet Infect Dis;5:558-567.
    • (2005) Lancet Infect Dis , vol.5 , pp. 558-567
    • Shepard, C.W.1    Finelli, L.2    Alter, M.J.3
  • 3
    • 33645088415 scopus 로고    scopus 로고
    • Treatment of hepatitis C in HIV-coinfected patients
    • Hughes C.A., Shafran S.D. (2006) Treatment of hepatitis C in HIV-coinfected patients. Ann Pharmacother;40:479-489.
    • (2006) Ann Pharmacother , vol.40 , pp. 479-489
    • Hughes, C.A.1    Shafran, S.D.2
  • 7
    • 67649999890 scopus 로고    scopus 로고
    • The phosphoramidate ProTide approach greatly enhances the activity of β-2-C-methylguanosine against hepatitis C virus
    • McGuigan C., Perrone P., Madela K., Neyts J. (2009) The phosphoramidate ProTide approach greatly enhances the activity of β-2-C-methylguanosine against hepatitis C virus. Bioorg Med Chem Lett;19:4316-4320.
    • (2009) Bioorg Med Chem Lett , vol.19 , pp. 4316-4320
    • McGuigan, C.1    Perrone, P.2    Madela, K.3    Neyts, J.4
  • 9
    • 69949103162 scopus 로고    scopus 로고
    • Phosphoramidate prodrugs of 2-C-methylcytidine for therapy of hepatitis C virus infection
    • Gardelli C., Attenni B., Donghi M., Meppen M., Pacini B., Harper S., Marco A.D. et al. (2009) Phosphoramidate prodrugs of 2-C-methylcytidine for therapy of hepatitis C virus infection. J Med Chem;52:5394-5407.
    • (2009) J Med Chem , vol.52 , pp. 5394-5407
    • Gardelli, C.1    Attenni, B.2    Donghi, M.3    Meppen, M.4    Pacini, B.5    Harper, S.6    Marco, A.D.7
  • 11
    • 72949109127 scopus 로고    scopus 로고
    • Monte Carlo method for identification of outlier molecules in QSAR studies
    • Laszlo T. (2010) Monte Carlo method for identification of outlier molecules in QSAR studies. J Math Chem;47:174-190.
    • (2010) J Math Chem , vol.47 , pp. 174-190
    • Laszlo, T.1
  • 12
    • 77949929296 scopus 로고    scopus 로고
    • Exploring QSARs for inhibitory activity of non-peptide HIV-1 protease inhibitors by GA-PLS and GA-SVM
    • Deeb O., Goodarzi M. (2010) Exploring QSARs for inhibitory activity of non-peptide HIV-1 protease inhibitors by GA-PLS and GA-SVM. Chem Biol Drug Des;75:506-514.
    • (2010) Chem Biol Drug Des , vol.75 , pp. 506-514
    • Deeb, O.1    Goodarzi, M.2
  • 13
    • 22144474037 scopus 로고    scopus 로고
    • Towards the chemometric dissection of peptide - HLA-A*0201 binding affinity: comparison of local and global QSAR models
    • Doytchinova I.A., Walshe V., Borrow P., Flower D.R. (2005) Towards the chemometric dissection of peptide - HLA-A*0201 binding affinity: comparison of local and global QSAR models. J Comput Aid Mol;15:203-212.
    • (2005) J Comput Aid Mol , vol.15 , pp. 203-212
    • Doytchinova, I.A.1    Walshe, V.2    Borrow, P.3    Flower, D.R.4
  • 14
    • 78650173327 scopus 로고    scopus 로고
    • QSAR studies of imidazopyridine derivatives as Et-PKG inhibitors by using PSO-SVM approach
    • Cheng Z.J., Zhang Y.T., Zhang W.J. (2010) QSAR studies of imidazopyridine derivatives as Et-PKG inhibitors by using PSO-SVM approach. Med Chem Res;19:1307-1325.
    • (2010) Med Chem Res , vol.19 , pp. 1307-1325
    • Cheng, Z.J.1    Zhang, Y.T.2    Zhang, W.J.3
  • 16
    • 77949997095 scopus 로고    scopus 로고
    • Simultaneously optimized support vector regression combined with genetic algorithm for QSAR analysis of KDR/VEGFR-2 inhibitors
    • Sun M., Chen J.Q., Cai J., Cao M., Yin S.Q., Ji M. (2010) Simultaneously optimized support vector regression combined with genetic algorithm for QSAR analysis of KDR/VEGFR-2 inhibitors. Chem Biol Drug Des;75:494-505.
    • (2010) Chem Biol Drug Des , vol.75 , pp. 494-505
    • Sun, M.1    Chen, J.Q.2    Cai, J.3    Cao, M.4    Yin, S.Q.5    Ji, M.6
  • 17
    • 0025448521 scopus 로고
    • The strength of weak learnability
    • Schapire R.E. (1990) The strength of weak learnability. Mach Learn;5:197-227.
    • (1990) Mach Learn , vol.5 , pp. 197-227
    • Schapire, R.E.1
  • 18
    • 14744269749 scopus 로고    scopus 로고
    • Boosting partial least squares
    • Zhang M.H., Xu Q.S., Massart D.L. (2005) Boosting partial least squares. Anal Chem;77:1423-1431.
    • (2005) Anal Chem , vol.77 , pp. 1423-1431
    • Zhang, M.H.1    Xu, Q.S.2    Massart, D.L.3
  • 19
    • 34248670398 scopus 로고    scopus 로고
    • QSAR study of angiotensin II antagonists using robust boosting partial least squares regression
    • Zhou Y.P., Cai C.B., Huan S., Jiang J.H., Wu H.L., Shen G.L., Yu R.Q. (2007) QSAR study of angiotensin II antagonists using robust boosting partial least squares regression. Anal Chim Acta;593:68-74.
    • (2007) Anal Chim Acta , vol.593 , pp. 68-74
    • Zhou, Y.P.1    Cai, C.B.2    Huan, S.3    Jiang, J.H.4    Wu, H.L.5    Shen, G.L.6    Yu, R.Q.7
  • 21
    • 18344371476 scopus 로고    scopus 로고
    • Kohonen network study of aromatic compounds based on electronic and nonelectronic structure descriptors
    • Panek J.J., Jezierska A., Vračko M.J. (2005) Kohonen network study of aromatic compounds based on electronic and nonelectronic structure descriptors. Chem Inf Model;45:264-272.
    • (2005) Chem Inf Model , vol.45 , pp. 264-272
    • Panek, J.J.1    Jezierska, A.2    Vračko, M.J.3
  • 22
    • 72149100139 scopus 로고    scopus 로고
    • Quantitative structure-activity relationship modelling of oral acute toxicity and cytotoxic activity of fragrance materials in rodents
    • Papa E., Luini M., Gramatica P. (2009) Quantitative structure-activity relationship modelling of oral acute toxicity and cytotoxic activity of fragrance materials in rodents. SAR QSAR Environ Res;20:767-779.
    • (2009) SAR QSAR Environ Res , vol.20 , pp. 767-779
    • Papa, E.1    Luini, M.2    Gramatica, P.3
  • 23
    • 69549105573 scopus 로고    scopus 로고
    • Classification of 5-HT1A receptor ligands on the basis of their binding affinities by using PSO-Adaboost-SVM
    • Cheng Z.J., Zhang Y.T., Zhou C.H., Zhang W.J., Gao S.B. (2009) Classification of 5-HT1A receptor ligands on the basis of their binding affinities by using PSO-Adaboost-SVM. Int J Mol Sci;10:3316-3337.
    • (2009) Int J Mol Sci , vol.10 , pp. 3316-3337
    • Cheng, Z.J.1    Zhang, Y.T.2    Zhou, C.H.3    Zhang, W.J.4    Gao, S.B.5
  • 27
    • 38849205466 scopus 로고    scopus 로고
    • A discrete particle swarm optimization algorithm for the no-wait flowshop scheduling problem
    • Pan Q.K., Tasgetiren M.F., Liang Y.C. (2008) A discrete particle swarm optimization algorithm for the no-wait flowshop scheduling problem. Comput Oper Res;35:2807-2839.
    • (2008) Comput Oper Res , vol.35 , pp. 2807-2839
    • Pan, Q.K.1    Tasgetiren, M.F.2    Liang, Y.C.3
  • 29
    • 50149102400 scopus 로고    scopus 로고
    • Particle swarm optimization technique based short-term hydrothermal scheduling
    • Mandal K.K., Basu M., Chakraborty N. (2008) Particle swarm optimization technique based short-term hydrothermal scheduling. Appl Soft Comput;8:1392-1399.
    • (2008) Appl Soft Comput , vol.8 , pp. 1392-1399
    • Mandal, K.K.1    Basu, M.2    Chakraborty, N.3
  • 30
    • 0033281701 scopus 로고    scopus 로고
    • Improved boosting algorithms using confidence-rated predictions
    • Schapire R.E., Singer Y. (1999) Improved boosting algorithms using confidence-rated predictions. Mach Learn;37:297-336.
    • (1999) Mach Learn , vol.37 , pp. 297-336
    • Schapire, R.E.1    Singer, Y.2
  • 31
    • 0031211090 scopus 로고    scopus 로고
    • A decision-theoretic generalization of on-line learning and an application to boosting
    • Freund Y., Schapire R.E. (1997) A decision-theoretic generalization of on-line learning and an application to boosting. J Comput System Sci;55:119-139.
    • (1997) J Comput System Sci , vol.55 , pp. 119-139
    • Freund, Y.1    Schapire, R.E.2
  • 32
    • 0032645080 scopus 로고    scopus 로고
    • An empirical comparison of voting classification algorithms: bagging, boosting, and variants
    • Bauer E., Kohavi R. (1999) An empirical comparison of voting classification algorithms: bagging, boosting, and variants. Mach Learn;36:105-139.
    • (1999) Mach Learn , vol.36 , pp. 105-139
    • Bauer, E.1    Kohavi, R.2
  • 33
    • 0034250160 scopus 로고    scopus 로고
    • An experimental comparison of three methods for constructing ensembles of decision trees: bagging, boosting, and randomization
    • Dietterich T.G. (2000) An experimental comparison of three methods for constructing ensembles of decision trees: bagging, boosting, and randomization. Mach Learn;40:139-157.
    • (2000) Mach Learn , vol.40 , pp. 139-157
    • Dietterich, T.G.1
  • 34
    • 0034164230 scopus 로고    scopus 로고
    • Additive logistic regression: a statistical view of boosting
    • Friedman J.H., Hastie T., Tibshirani R. (2000) Additive logistic regression: a statistical view of boosting. Ann Stat;28:337-407.
    • (2000) Ann Stat , vol.28 , pp. 337-407
    • Friedman, J.H.1    Hastie, T.2    Tibshirani, R.3
  • 35
    • 84898985725 scopus 로고    scopus 로고
    • A gradient-based boosting algorithm for regression problems. In: Advances in Neural Information Processing Systems, no.13 in NIPS-13
    • Zemel R.S., Pitassi T. (2001) A gradient-based boosting algorithm for regression problems. In: Advances in Neural Information Processing Systems, no.13 in NIPS-13, p. 696-702.
    • (2001) , pp. 696-702
    • Zemel, R.S.1    Pitassi, T.2
  • 36
    • 81355145658 scopus 로고    scopus 로고
    • Leveraging for regression. In: Proceedings of COLT. San Francisco: Morgan Kaufmann
    • Duffy N., Helmbold D. (2000) Leveraging for regression. In: Proceedings of COLT. San Francisco: Morgan Kaufmann, p. 208-219.
    • (2000) , pp. 208-219
    • Duffy, N.1    Helmbold, D.2
  • 37
    • 0035470889 scopus 로고    scopus 로고
    • Greedy function approximation: a gradient boosting machine
    • Friedman J.H. (2001) Greedy function approximation: a gradient boosting machine. Ann Stat;29:1189-1232.
    • (2001) Ann Stat , vol.29 , pp. 1189-1232
    • Friedman, J.H.1
  • 38
    • 14544284103 scopus 로고    scopus 로고
    • Towards a strategy for boosting regressors
    • Smola A. J., Bartlett P. L., Schölkopf B., and Schuurmans D., editors. Cambridge, MA: MIT Press
    • Karakoulas G., Shawe-Taylor J. (2000) Towards a strategy for boosting regressors. In: Smola A. J., Bartlett P. L., Schölkopf B., and Schuurmans D., editors. Advances in Large Margin Classifiers. Cambridge, MA: MIT Press; p. 247-258.
    • (2000) Advances in Large Margin Classifiers , pp. 247-258
    • Karakoulas, G.1    Shawe-Taylor, J.2
  • 40
    • 34249753618 scopus 로고
    • Support-vector networks
    • Cortes C., Vapnik V. (1995) Support-vector networks. Mach Learn;20:273-297.
    • (1995) Mach Learn , vol.20 , pp. 273-297
    • Cortes, C.1    Vapnik, V.2
  • 41
    • 11244255299 scopus 로고    scopus 로고
    • QSAR and classification models of a novel series of COX-2 selective inhibitors: 1, 5-diarylimidazoles based on support vector machines
    • Liu H.X., Zhang R.S., Yao X.J., Liu M.C., Hu Z.D., Fan B.T. (2004) QSAR and classification models of a novel series of COX-2 selective inhibitors: 1, 5-diarylimidazoles based on support vector machines. J Comput Aid Mol Des;18:389-399.
    • (2004) J Comput Aid Mol Des , vol.18 , pp. 389-399
    • Liu, H.X.1    Zhang, R.S.2    Yao, X.J.3    Liu, M.C.4    Hu, Z.D.5    Fan, B.T.6
  • 42
    • 57349180661 scopus 로고    scopus 로고
    • Augmented three-mode MIA-QSAR modeling for a series of anti-HIV-1 compounds
    • Goodarzi M., Freitas M.P. (2008) Augmented three-mode MIA-QSAR modeling for a series of anti-HIV-1 compounds. QSAR Comb Sci;27:1092-1098.
    • (2008) QSAR Comb Sci , vol.27 , pp. 1092-1098
    • Goodarzi, M.1    Freitas, M.P.2
  • 43
    • 0016355478 scopus 로고
    • A new look at the statistical model identification
    • Akaike H. (1974) A new look at the statistical model identification. IEEE Trans Automat Contr AC-19:716-723.
    • (1974) IEEE Trans Automat Contr AC , vol.19 , pp. 716-723
    • Akaike, H.1
  • 44
    • 0028046665 scopus 로고
    • Variable selection in QSAR studies. I. An evolutionary algorithm
    • Kubinyi H. (1994) Variable selection in QSAR studies. I. An evolutionary algorithm. Quant Struct Act Relat;13:285-294.
    • (1994) Quant Struct Act Relat , vol.13 , pp. 285-294
    • Kubinyi, H.1
  • 45
    • 0028597381 scopus 로고
    • Variable selection in QSAR studies. II. A highly efficient combination of systematic search and evolution
    • Kubinyi H. (1994) Variable selection in QSAR studies. II. A highly efficient combination of systematic search and evolution. Quant Struct Act Relat;13:393-401.
    • (1994) Quant Struct Act Relat , vol.13 , pp. 393-401
    • Kubinyi, H.1


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