메뉴 건너뛰기




Volumn 122, Issue , 2013, Pages 1-11

Gravitational search algorithm: A new feature selection method for QSAR study of anticancer potency of imidazo[4,5-b]pyridine derivatives

Author keywords

Anti cancer potency; Aurora A kinase; Feature selection; Gravitational search algorithm; Imidazo 4,5 b pyridine; QSAR study

Indexed keywords

ANTINEOPLASTIC AGENT; IMIDAZO[4,5 B]PYRIDINE DERIVATIVE;

EID: 84872385817     PISSN: 01697439     EISSN: 18733239     Source Type: Journal    
DOI: 10.1016/j.chemolab.2012.12.002     Document Type: Article
Times cited : (42)

References (67)
  • 2
    • 84872382698 scopus 로고    scopus 로고
    • (accessed February 2012)
    • World Health Organization Media centre (accessed February 2012). http://www.who.int/mediacentre/factsheets/fs297/en.
    • World Health Organization Media centre
  • 3
    • 80051580618 scopus 로고    scopus 로고
    • Cancer statistics, 2011: the impact of eliminating socioeconomic and racial disparities on premature cancer deaths
    • Siegel R., Ward E., Brawley O., Naishadham D., Jemal A. Cancer statistics, 2011: the impact of eliminating socioeconomic and racial disparities on premature cancer deaths. CA: A Cancer Journal for Clinicians 2011, 61:212-236.
    • (2011) CA: A Cancer Journal for Clinicians , vol.61 , pp. 212-236
    • Siegel, R.1    Ward, E.2    Brawley, O.3    Naishadham, D.4    Jemal, A.5
  • 5
    • 0025295139 scopus 로고
    • Poly(A) metabolism and polysomal recruitment of maternal mRNAs during early Xenopus development
    • Paris J., Philippe M. Poly(A) metabolism and polysomal recruitment of maternal mRNAs during early Xenopus development. Developmental Biology 1990, 140:221-224.
    • (1990) Developmental Biology , vol.140 , pp. 221-224
    • Paris, J.1    Philippe, M.2
  • 8
    • 18044391525 scopus 로고    scopus 로고
    • Aurora kinases, aneuploidy and cancer, a coincidence or a real link?
    • Giet R., Petretti C., Prigent C. Aurora kinases, aneuploidy and cancer, a coincidence or a real link?. Trends in Cell Biology 2005, 15:241-250.
    • (2005) Trends in Cell Biology , vol.15 , pp. 241-250
    • Giet, R.1    Petretti, C.2    Prigent, C.3
  • 15
    • 0002254833 scopus 로고    scopus 로고
    • Structure-activity-relationships-challenges and context
    • Testa B. Structure-activity-relationships-challenges and context. Pharmaceutical News 2000, 7:13-22.
    • (2000) Pharmaceutical News , vol.7 , pp. 13-22
    • Testa, B.1
  • 16
    • 0242355354 scopus 로고    scopus 로고
    • Quantitative structure-activity relationships in chemistry
    • Kaiser K.L.E. Quantitative structure-activity relationships in chemistry. Can. Chemical News 1999, 51:23-24.
    • (1999) Can. Chemical News , vol.51 , pp. 23-24
    • Kaiser, K.L.E.1
  • 17
    • 0030934103 scopus 로고    scopus 로고
    • Recent success stories leading to commercialisable bioactive compounds with the aid of traditional QSAR procedures
    • Fujita T. Recent success stories leading to commercialisable bioactive compounds with the aid of traditional QSAR procedures. Quantitative Structure-Activity Relationships 1997, 16:107-112.
    • (1997) Quantitative Structure-Activity Relationships , vol.16 , pp. 107-112
    • Fujita, T.1
  • 19
    • 80055094177 scopus 로고    scopus 로고
    • Structural analysis of α-glucosidase inhibitors by validated QSAR models using topological and hydrophobicity based descriptors
    • Moorthy N.S.H.N., Ramos M.J., Fernandes P.A. Structural analysis of α-glucosidase inhibitors by validated QSAR models using topological and hydrophobicity based descriptors. Chemometrics and Intelligent Laboratory Systems 2011, 109:101-112.
    • (2011) Chemometrics and Intelligent Laboratory Systems , vol.109 , pp. 101-112
    • Moorthy, N.S.H.N.1    Ramos, M.J.2    Fernandes, P.A.3
  • 21
    • 84872371859 scopus 로고    scopus 로고
    • http://www.edusoft-lc.com/molconn.
  • 24
    • 80054920636 scopus 로고    scopus 로고
    • QSAR study on the interactions between antibiotic compounds and DNA by a hybrid genetic-based support vector machine
    • Zhou X.B., Han W.J., Chen J., Lu X.Q. QSAR study on the interactions between antibiotic compounds and DNA by a hybrid genetic-based support vector machine. Monatshefte fur Chemie 2011, 142:949-959.
    • (2011) Monatshefte fur Chemie , vol.142 , pp. 949-959
    • Zhou, X.B.1    Han, W.J.2    Chen, J.3    Lu, X.Q.4
  • 25
    • 80053023052 scopus 로고    scopus 로고
    • Linear vs. Non-linear Modelling. Case study: modelling of binding affinity of inhibitors to Trypsin
    • Zupan J., Zuperl P. Linear vs. Non-linear Modelling. Case study: modelling of binding affinity of inhibitors to Trypsin. Acta Chimica Slovenica 2011, 58:485-491.
    • (2011) Acta Chimica Slovenica , vol.58 , pp. 485-491
    • Zupan, J.1    Zuperl, P.2
  • 26
    • 77956286706 scopus 로고    scopus 로고
    • QSAR modeling of peptide biological activity by coupling support vector machine with particle swarm optimization algorithm and genetic algorithm
    • Zhou X., Li Z., Dai Z., Zou X. QSAR modeling of peptide biological activity by coupling support vector machine with particle swarm optimization algorithm and genetic algorithm. Journal of Molecular Graphics and Modelling 2010, 29:188-196.
    • (2010) Journal of Molecular Graphics and Modelling , vol.29 , pp. 188-196
    • Zhou, X.1    Li, Z.2    Dai, Z.3    Zou, X.4
  • 27
    • 66449104970 scopus 로고    scopus 로고
    • An efficient variable selection method based on the use of external memory in ant colony optimization. Application to QSAR/QSPR studies
    • Shamsipur M., Zare-Shahabadi V., Hemmateenejad B., Akhond M. An efficient variable selection method based on the use of external memory in ant colony optimization. Application to QSAR/QSPR studies. Analytica Chimica Acta 2009, 646:39-46.
    • (2009) Analytica Chimica Acta , vol.646 , pp. 39-46
    • Shamsipur, M.1    Zare-Shahabadi, V.2    Hemmateenejad, B.3    Akhond, M.4
  • 28
    • 61349084819 scopus 로고    scopus 로고
    • 7) receptor inhibitors using modified ant colony algorithm and adaptive neuro-fuzzy interference system (ANFIS)
    • 7) receptor inhibitors using modified ant colony algorithm and adaptive neuro-fuzzy interference system (ANFIS). European Journal of Medicinal Chemistry 2009, 44:1463-1470.
    • (2009) European Journal of Medicinal Chemistry , vol.44 , pp. 1463-1470
    • jalali-Heravi, M.1    Asadollahi-Baboli, M.2
  • 29
    • 79951517776 scopus 로고    scopus 로고
    • Adaptive variable-weighted support vector machine as optimized by particle swarm optimization algorithm with application of QSAR studies
    • Wen J.-H., Zhong K.-J., Tang L.-J., Jiang J.-H., Wu H.-L., Shen G.-L., Yu R.-Q. Adaptive variable-weighted support vector machine as optimized by particle swarm optimization algorithm with application of QSAR studies. Talanta 2011, 84:13-18.
    • (2011) Talanta , vol.84 , pp. 13-18
    • Wen, J.-H.1    Zhong, K.-J.2    Tang, L.-J.3    Jiang, J.-H.4    Wu, H.-L.5    Shen, G.-L.6    Yu, R.-Q.7
  • 30
    • 39749148281 scopus 로고    scopus 로고
    • Feature Set Selection in QSAR of 1-[(2-Hydroxyethoxy)methyl]-6-(phenylthio)thymine (HEPT) Analogues by Using Swarm Intelligence
    • Prakasvudhisarn C., Lawtrakul L. Feature Set Selection in QSAR of 1-[(2-Hydroxyethoxy)methyl]-6-(phenylthio)thymine (HEPT) Analogues by Using Swarm Intelligence. Monatshefte fur Chemie 2008, 139:197-211.
    • (2008) Monatshefte fur Chemie , vol.139 , pp. 197-211
    • Prakasvudhisarn, C.1    Lawtrakul, L.2
  • 41
    • 46149127936 scopus 로고
    • The immune system, adaptation and machine learning
    • Farmer J.D., Packard N.H., Perelson A.S. The immune system, adaptation and machine learning. Physica D 1986, 22:187-204.
    • (1986) Physica D , vol.22 , pp. 187-204
    • Farmer, J.D.1    Packard, N.H.2    Perelson, A.S.3
  • 42
    • 35148827874 scopus 로고    scopus 로고
    • An Idea Based On Honey Bee Swarm for Numerical Optimization
    • Erciyes University, Engineering Faculty, Computer Engineering Department
    • Karaboga D. An Idea Based On Honey Bee Swarm for Numerical Optimization. Technical Report-TR06 2005, Erciyes University, Engineering Faculty, Computer Engineering Department.
    • (2005) Technical Report-TR06
    • Karaboga, D.1
  • 44
    • 69349104350 scopus 로고    scopus 로고
    • Ant colony optimization as a feature selection method in the QSAR modeling of anti-HIV-1 activities of 3-(3,5-dimethylbenzyl)uracil derivatives using MLR, PLS and SVM regressions
    • Goodarzi M., Freitas M.P., Jensen R. Ant colony optimization as a feature selection method in the QSAR modeling of anti-HIV-1 activities of 3-(3,5-dimethylbenzyl)uracil derivatives using MLR, PLS and SVM regressions. Chemometrics and Intelligent Laboratory Systems 2009, 98:123-129.
    • (2009) Chemometrics and Intelligent Laboratory Systems , vol.98 , pp. 123-129
    • Goodarzi, M.1    Freitas, M.P.2    Jensen, R.3
  • 45
    • 43849085956 scopus 로고    scopus 로고
    • Pseudo receptor probes: a novel pseudo receptor-based QSAR method and application into studies on a new kind of selective vascular endothelial growth factor-2 receptor inhibitors
    • Ruan Z., Wang H., Ren Y., Chen Y., Han J., Pang X., Liang H., Wu Y. Pseudo receptor probes: a novel pseudo receptor-based QSAR method and application into studies on a new kind of selective vascular endothelial growth factor-2 receptor inhibitors. Chemometrics and Intelligent Laboratory Systems 2008, 92:157-168.
    • (2008) Chemometrics and Intelligent Laboratory Systems , vol.92 , pp. 157-168
    • Ruan, Z.1    Wang, H.2    Ren, Y.3    Chen, Y.4    Han, J.5    Pang, X.6    Liang, H.7    Wu, Y.8
  • 47
    • 84943817322 scopus 로고
    • Error detecting and error correcting codes
    • Hamming R.W. Error detecting and error correcting codes. The Bell System Technical Journal 1950, 29:147-160.
    • (1950) The Bell System Technical Journal , vol.29 , pp. 147-160
    • Hamming, R.W.1
  • 51
    • 84872382114 scopus 로고    scopus 로고
    • The MIT Press, Massachusetts, (part 3), M.A. Arbib (Ed.)
    • The Handbook of Brain Theory and Neural Networks 2003, 470-475. The MIT Press, Massachusetts, (part 3). M.A. Arbib (Ed.).
    • (2003) The Handbook of Brain Theory and Neural Networks , pp. 470-475
  • 52
    • 0033549850 scopus 로고    scopus 로고
    • Robust QSAR models using Bayesian regularized neural networks
    • Burden F.R., Winkler D.A. Robust QSAR models using Bayesian regularized neural networks. Journal of Medicinal Chemistry 1999, 42:3183-3187.
    • (1999) Journal of Medicinal Chemistry , vol.42 , pp. 3183-3187
    • Burden, F.R.1    Winkler, D.A.2
  • 53
    • 70449416196 scopus 로고    scopus 로고
    • QSAR modeling of 1-(3,3-diphenylpropyl)-piperidinyl amides as CCR5 modulators using multivariate adaptive regression spline and Bayesian regularized genetic neural networks
    • Jalali-Heravi M., Mani-Varnosfaderani A. QSAR modeling of 1-(3,3-diphenylpropyl)-piperidinyl amides as CCR5 modulators using multivariate adaptive regression spline and Bayesian regularized genetic neural networks. QSAR and Combinatorial Science 2009, 28:946-958.
    • (2009) QSAR and Combinatorial Science , vol.28 , pp. 946-958
    • Jalali-Heravi, M.1    Mani-Varnosfaderani, A.2
  • 54
    • 0001025418 scopus 로고
    • Bayesian interpolation
    • Mackay D.J.C. Bayesian interpolation. Neural Computation 1992, 4:415-447.
    • (1992) Neural Computation , vol.4 , pp. 415-447
    • Mackay, D.J.C.1
  • 55
    • 0002704818 scopus 로고
    • A practical Bayesian framework for backpropagation networks
    • Mackay D.J.C. A practical Bayesian framework for backpropagation networks. Neural Computation 1992, 4:448-472.
    • (1992) Neural Computation , vol.4 , pp. 448-472
    • Mackay, D.J.C.1
  • 56
    • 0001441372 scopus 로고
    • Probable networks and plausible predictions-a review of practical Bayesian methods for supervised neural networks
    • Mackay D.J.C. Probable networks and plausible predictions-a review of practical Bayesian methods for supervised neural networks. Computation in Neural Systems 1995, 6:469-505.
    • (1995) Computation in Neural Systems , vol.6 , pp. 469-505
    • Mackay, D.J.C.1
  • 58
    • 33846815342 scopus 로고    scopus 로고
    • Modeling of the inhibition constant (Ki) of some cruzain ketone-based inhibitors using 2D spatial autocorrelation vectors and data-diverse ensembles of Bayesian-regularized genetic neural networks
    • Caballero J., Candidor-Camba A., Fernandez M. Modeling of the inhibition constant (Ki) of some cruzain ketone-based inhibitors using 2D spatial autocorrelation vectors and data-diverse ensembles of Bayesian-regularized genetic neural networks. QSAR and Combinatorial Science 2007, 26:27-40.
    • (2007) QSAR and Combinatorial Science , vol.26 , pp. 27-40
    • Caballero, J.1    Candidor-Camba, A.2    Fernandez, M.3
  • 61
    • 0038724207 scopus 로고    scopus 로고
    • The importance of being earnest: validation is the absolute essential for successful application and interpretation of QSAR models
    • Tropsha A., Gramatica P., Gomber V.K. The importance of being earnest: validation is the absolute essential for successful application and interpretation of QSAR models. QSAR and Combinatorial Science 2003, 22:69-77.
    • (2003) QSAR and Combinatorial Science , vol.22 , pp. 69-77
    • Tropsha, A.1    Gramatica, P.2    Gomber, V.K.3
  • 63
    • 40149105117 scopus 로고    scopus 로고
    • QSAR study of heparanase inhibitors activity using artificial neural networks and Levenberge-Marquardt algorithm
    • Jalali-Heravi M., Asadollahi-Baboli M., Shahbazikhah P. QSAR study of heparanase inhibitors activity using artificial neural networks and Levenberge-Marquardt algorithm. European Journal of Medicinal Chemistry 2008, 43:548-556.
    • (2008) European Journal of Medicinal Chemistry , vol.43 , pp. 548-556
    • Jalali-Heravi, M.1    Asadollahi-Baboli, M.2    Shahbazikhah, P.3
  • 64
    • 33748888913 scopus 로고    scopus 로고
    • QSAR studies about cytotoxicity of benzophenazines with dual inhibition toward both topoisomerases I and II: 3D-MoRSE descriptors and statistical considerations about variable selection
    • Saiz-Urra L., Gonzalez M.P., Teijeira M. QSAR studies about cytotoxicity of benzophenazines with dual inhibition toward both topoisomerases I and II: 3D-MoRSE descriptors and statistical considerations about variable selection. Bioorganic & Medicinal Chemistry 2006, 14:7347-7358.
    • (2006) Bioorganic & Medicinal Chemistry , vol.14 , pp. 7347-7358
    • Saiz-Urra, L.1    Gonzalez, M.P.2    Teijeira, M.3
  • 65
    • 77955560073 scopus 로고    scopus 로고
    • QSAR study of carboxylic acid derivatives as HIV-1 Integrase inhibitors
    • Cheng Z., Zhang Y., Fu W. QSAR study of carboxylic acid derivatives as HIV-1 Integrase inhibitors. European Journal of Medicinal Chemistry 2010, 45:3970-3980.
    • (2010) European Journal of Medicinal Chemistry , vol.45 , pp. 3970-3980
    • Cheng, Z.1    Zhang, Y.2    Fu, W.3
  • 66
    • 26844522307 scopus 로고    scopus 로고
    • Quantitative structure-activity relationship studies of vitamin D receptor affinity for analogues of 1a,25-dihydroxyvitamin D3. 1: WHIM descriptors
    • Gonzalez M.P., Suarez P.L., Falla Y., Gomez G. Quantitative structure-activity relationship studies of vitamin D receptor affinity for analogues of 1a,25-dihydroxyvitamin D3. 1: WHIM descriptors. Bioorganic & Medicinal Chemistry Letters 2005, 15:5165-5169.
    • (2005) Bioorganic & Medicinal Chemistry Letters , vol.15 , pp. 5165-5169
    • Gonzalez, M.P.1    Suarez, P.L.2    Falla, Y.3    Gomez, G.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.