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Volumn 10, Issue 8, 2009, Pages 3316-3337

Classification of 5-HT1A receptor ligands on the basis of their binding affinities by using PSO-Adaboost-SVM

Author keywords

5 HT1A selective ligands; Adaboost SVM; Classification; Particle swarm optimization; Topological descriptor

Indexed keywords

SEROTONIN 1A RECEPTOR;

EID: 69549105573     PISSN: None     EISSN: 14220067     Source Type: Journal    
DOI: 10.3390/ijms10083316     Document Type: Article
Times cited : (7)

References (57)
  • 2
    • 0030664612 scopus 로고    scopus 로고
    • Multiple serotonin receptors: Too many, not enough, or just the right number?
    • DOI 10.1016/S0149-7634(96)00022-X, PII S014976349600022X
    • Uphouse, L. Multiple serotonin receptors: Too many, not enough, or just the right number? Neurosci. Biobehav. Rev. 1997, 21, 679-698. (Pubitemid 27458806)
    • (1997) Neuroscience and Biobehavioral Reviews , vol.21 , Issue.5 , pp. 679-698
    • Uphouse, L.1
  • 3
    • 34248513038 scopus 로고    scopus 로고
    • 1A-receptor expression in adult rat hippocampus and cortex
    • 1A-receptor expression in adult rat hippocampus and cortex. Synapse 2007, 61, 531-539.
    • (2007) Synapse , vol.61 , pp. 531-539
    • Abbas, S.Y.1    Nogueira, M.I.2    Azmitia, E.C.3
  • 7
    • 0025922762 scopus 로고
    • 1A receptor agonist 8-OH-DPAT on the release of 5-HT in dorsal and median raphe-innervated rat brain regions as measured by in vivo microdialysis
    • 1A receptor agonist 8-OH-DPAT on the release of 5-HT in dorsal and median raphe-innervated rat brain regions as measured by in vivo microdialysis. Life Sci. 1991, 48, 1779-1786.
    • (1991) Life Sci. , vol.48 , pp. 1779-1786
    • Hjorth, S.1    Sharp, T.2
  • 10
    • 0037310558 scopus 로고    scopus 로고
    • Selective 5-HT1A antagonistsWAY 100635 and NAD-299 attenuate the impairment of passive avoidance caused by scopolamine in the rat
    • Misane, I.; Ögren, S.O. Selective 5-HT1A antagonistsWAY 100635 and NAD-299 attenuate the impairment of passive avoidance caused by scopolamine in the rat. Neuropsychopharmacology 2003, 28, 253-264.
    • (2003) Neuropsychopharmacology , vol.28 , pp. 253-264
    • Misane, I.1    Ögren, S.O.2
  • 12
    • 33646504096 scopus 로고    scopus 로고
    • Some implications of receptor theory for in vivo assessment of agonists, antagonists and inverse agonists
    • Negus, S.S. Some implications of receptor theory for in vivo assessment of agonists, antagonists and inverse agonists. Biochem. Pharmacol. 2006, 71, 1663-1670.
    • (2006) Biochem. Pharmacol. , vol.71 , pp. 1663-1670
    • Negus, S.S.1
  • 13
    • 38949118266 scopus 로고    scopus 로고
    • 1A receptor affinities presented by arylpiperazine compounds
    • 1A receptor affinities presented by arylpiperazine compounds. Eur. J. Med. Chem. 2008, 43, 364-372.
    • (2008) Eur. J. Med. Chem. , vol.43 , pp. 364-372
    • Weber, K.C.1    Da Silva, A.B.F.2
  • 17
    • 0033850658 scopus 로고    scopus 로고
    • Design, synthesis and biological evaluation of new 3-[(4-aryl)piperazin- 1-yl]-1-arylpropane derivatives as potential antidepressants with a dual mode of action: Serotonin reuptake inhibition and 5-HT(1A) receptor antagonism
    • DOI 10.1016/S0014-827X(00)00050-1, PII S0014827X00000501
    • Oficialdegui, A.M.; Martinez, J.; Pérez, S.; Heras, B.; Irurzun, M.; Palop, J.A.; Tordera, R.; Lasheras, B. del Río, J.; Monge, A. Design, synthesis and biological evaluation of new 3-[(4-aryl) piperazin-1-yl]-1- arylpropane derivatives as potential antidepressants with a dual mode of action: Serotonin reuptake inhibition and 5-HT1A receptor antagonism. Farmaco Prat. 2000, 55, 345-353. (Pubitemid 30682400)
    • (2000) Farmaco , vol.55 , Issue.5 , pp. 345-353
    • Oficialdegui, A.M.1    Martinez, J.2    Perez, S.3    Heras, B.4    Irurzun, M.5    Palop, J.A.6    Tordera, R.7    Lasheras, B.8    Del Rio, J.9    Monge, A.10
  • 19
    • 34249910309 scopus 로고    scopus 로고
    • Introducing spectral structure activity relationship (s-sar) analysis. Application to ecotoxicology
    • Putz, M.V.; Lacrǎmǎ, A.M. Introducing spectral structure activity relationship (s-sar) analysis. Application to ecotoxicology. Int. J. Mol. Sci. 2007, 8, 363-391.
    • (2007) Int. J. Mol. Sci. , vol.8 , pp. 363-391
    • Putz, M.V.1    Lacrǎmǎ, A.M.2
  • 20
    • 63449139846 scopus 로고    scopus 로고
    • Quantum-SAR extension of the Spectral-SAR lgorithm. Application to polyphenolic anticancer bioactivity
    • Putz, M.V.; Putz, A.M.; Lazea, M.; Ienciu, L.; Chiriac, A. Quantum-SAR extension of the Spectral-SAR lgorithm. Application to polyphenolic anticancer bioactivity. Int. J. Mol. Sci. 2009, 10, 1193-1214.
    • (2009) Int. J. Mol. Sci. , vol.10 , pp. 1193-1214
    • Putz, M.V.1    Putz, A.M.2    Lazea, M.3    Ienciu, L.4    Chiriac, A.5
  • 27
    • 56149093209 scopus 로고    scopus 로고
    • A quantitative structure property relationship for prediction of solubilization of hazardous compounds using GA-based MLR in CTAB micellar media
    • Ghasemi, J.B.; Abdolmaleki, A.; Mandoumi, N. A quantitative structure property relationship for prediction of solubilization of hazardous compounds using GA-based MLR in CTAB micellar media. J. Hazard. Mater. 2009, 161, 74-80.
    • (2009) J. Hazard. Mater. , vol.161 , pp. 74-80
    • Ghasemi, J.B.1    Abdolmaleki, A.2    Mandoumi, N.3
  • 28
    • 0002100415 scopus 로고
    • How to choose the proper statistical method
    • van de Waterbeemd, H., Ed.; VCH: New York, USA
    • Clementi, S.; Wold, S. How to choose the proper statistical method. In Chemometric methods in molecular design; van de Waterbeemd, H., Ed.; VCH: New York, USA, 1995; pp. 319-338.
    • (1995) Chemometric Methods in Molecular Design , pp. 319-338
    • Clementi, S.1    Wold, S.2
  • 29
    • 40149105117 scopus 로고    scopus 로고
    • QSAR study of heparanase inhibitors activity using artificial neural networks and Levenberg-Marquardt algorithm
    • DOI 10.1016/j.ejmech.2007.04.014, PII S0223523407002000
    • Heravi, M.J.; Baboli, M.A.; Shahbazikhah, P. QSAR study of heparanase inhibitors activity using artificial neural networks and LevenbergeMarquardt algorithm. Eur. J. Med. Chem. 2008, 43, 548-556. (Pubitemid 351324887)
    • (2008) European Journal of Medicinal Chemistry , vol.43 , Issue.3 , pp. 548-556
    • Jalali-Heravi, M.1    Asadollahi-Baboli, M.2    Shahbazikhah, P.3
  • 30
    • 0037289637 scopus 로고    scopus 로고
    • Multiple regression modelling of mineral base oil biodegradability based on their physical properties and overall chemical composition
    • Haus, F.; Boissel, O.; Junter, G.A. Multiple regression modelling of mineral base oil biodegradability based on their physical properties and overall chemical composition. Chemosphere 2003, 50, 939-948.
    • (2003) Chemosphere , vol.50 , pp. 939-948
    • Haus, F.1    Boissel, O.2    Junter, G.A.3
  • 31
    • 0000172629 scopus 로고    scopus 로고
    • On characterization of cyclic structures
    • Randić, M. On characterization of cyclic structures. J. Chem. Inf. Comput. Sci. 1997, 37, 1063-1071.
    • (1997) J. Chem. Inf. Comput. Sci. , vol.37 , pp. 1063-1071
    • Randić, M.1
  • 32
    • 0000569170 scopus 로고
    • Five new topological indices for the branching of tree-like graphs
    • Balaban, A.T. Five new topological indices for the branching of tree-like graphs. Theor. Chim. Acta. 1979, 53, 355-375.
    • (1979) Theor. Chim. Acta , vol.53 , pp. 355-375
    • Balaban, A.T.1
  • 33
    • 0042879397 scopus 로고    scopus 로고
    • Molecular graph center, a novel approach to locate the center of a molecule and a new centric index
    • Hu, Q.N.; Liang, Y.Z.; Ren, F.L. Molecular graph center, a novel approach to locate the center of a molecule and a new centric index. J. Mol. Struc.-Theochem 2003, 635, 105-113.
    • (2003) J. Mol. Struc.-Theochem , vol.635 , pp. 105-113
    • Hu, Q.N.1    Liang, Y.Z.2    Ren, F.L.3
  • 34
    • 0001822434 scopus 로고    scopus 로고
    • Ovellrall connectivity and topological complexity: A new tool for QSPR/QSAR
    • Deviller, J., Balaban, A.T., Eds.; Gordon & Breach Science Publishers: Amsterdam, The Netherlands
    • Bonchev, D. Ovellrall connectivity and topological complexity: A new tool for QSPR/QSAR. In Topological indices and related descriptors in QSAR and QSPR; Deviller, J., Balaban, A.T., Eds.; Gordon & Breach Science Publishers: Amsterdam, The Netherlands, 1999.
    • (1999) Topological Indices and Related Descriptors in QSAR and QSPR
    • Bonchev, D.1
  • 35
    • 0034065762 scopus 로고    scopus 로고
    • Modelling and prediction of soil sorption coefficients of non-ionic organic pesticides by molecular descriptors
    • Gramatica, P.; Corradi, M.; Consonni, V. Modelling and prediction of soil sorption coefficients of non-ionic organic pesticides by molecular descriptors. Chemosphere 2000, 41, 763-777.
    • (2000) Chemosphere , vol.41 , pp. 763-777
    • Gramatica, P.1    Corradi, M.2    Consonni, V.3
  • 36
    • 33846346097 scopus 로고
    • An index of electrotopological state for atoms in molecules
    • Kier, L.B.; Hall, L.H.; Frazer, J.W. An index of electrotopological state for atoms in molecules. J. Math. Chem. 1991, 7, 229-241.
    • (1991) J. Math. Chem. , vol.7 , pp. 229-241
    • Kier, L.B.1    Hall, L.H.2    Frazer, J.W.3
  • 37
    • 5244364136 scopus 로고    scopus 로고
    • The discrimination ability of some topological and information distance indices for graphs of unbranched hexagonal systems
    • Konstantinova, E.V. The discrimination ability of some topological and information distance indices for graphs of unbranched hexagonal systems. J. Chem. Inf. Comput. Sci. 1996, 36, 54-57.
    • (1996) J. Chem. Inf. Comput. Sci. , vol.36 , pp. 54-57
    • Konstantinova, E.V.1
  • 38
    • 57749181992 scopus 로고    scopus 로고
    • Development of improved empirical models for estimating the binding constant of a β-cyclodextrin inclusion complex
    • in press
    • Chari, R.; Qureshi, F.; Moschera, J.; Tarantino, R.; Kalonia, D. Development of improved empirical models for estimating the binding constant of a β-cyclodextrin inclusion complex. Pharm. Res. 2009, 26, (in press).
    • (2009) Pharm. Res. , vol.26
    • Chari, R.1    Qureshi, F.2    Moschera, J.3    Tarantino, R.4    Kalonia, D.5
  • 39
    • 34250824713 scopus 로고    scopus 로고
    • A general QSPR model for the prediction of θ (lower critical solution temperature) in polymer solutions with topological indices
    • DOI 10.1016/j.jmgm.2007.01.004, PII S1093326307000058
    • Xu, J.; Liu, L.; Xu, W.L.; Zhao, S.P.; Zuo, D.Y. A general QSPR model for the prediction of θ (lower critical solution temperature) in polymer solutions with topological indices. J. Mol. Graph. Model. 2007, 26, 352-359. (Pubitemid 46977269)
    • (2007) Journal of Molecular Graphics and Modelling , vol.26 , Issue.1 , pp. 352-359
    • Xu, J.1    Liu, L.2    Xu, W.3    Zhao, S.4    Zuo, D.5
  • 42
    • 84901886086 scopus 로고    scopus 로고
    • accessed 4 January, 2009
    • MolinspirationWebME Editor 2.6. http://www.molinspiration.com:9080/mi/ webme.html (accessed 4 January, 2009).
  • 43
    • 84901879470 scopus 로고    scopus 로고
    • accessed 9 January, 2009
    • Virtual Computational Chemistry Laboratory. http://www.vcclab.org/lab/ edragon/ (accessed 9 January, 2009).
  • 44
    • 38149132516 scopus 로고    scopus 로고
    • N-[2-(5,5-Dimethyl-1,3-dioxane-2-yl)ethyl]amino acids: Their synthesis, anti-inflammatory evaluation and QSAR analysis
    • Li, X.M.; Zhao, M.; Tang, Y.R.; Wang, C.; Zhang, Z.D.; Peng, S.Q. N-[2-(5,5-Dimethyl-1,3-dioxane-2-yl)ethyl]amino acids: Their synthesis, anti-inflammatory evaluation and QSAR analysis. Eur. J. Med. Chem. 2008, 43, 8-18.
    • (2008) Eur. J. Med. Chem. , vol.43 , pp. 8-18
    • Li, X.M.1    Zhao, M.2    Tang, Y.R.3    Wang, C.4    Zhang, Z.D.5    Peng, S.Q.6
  • 45
    • 58149263188 scopus 로고    scopus 로고
    • QSAR study of antimicrobial 3-hydroxypyridine-4-one and 3-hydroxypyran-4-one derivatives using different chemometric tools
    • Sabet, R.; Fassihi, A. QSAR study of antimicrobial 3-hydroxypyridine-4- one and 3-hydroxypyran-4-one derivatives using different chemometric tools. Int. J. Mol. Sci. 2008, 9, 2407-2423.
    • (2008) Int. J. Mol. Sci. , vol.9 , pp. 2407-2423
    • Sabet, R.1    Fassihi, A.2
  • 46
    • 34447290464 scopus 로고    scopus 로고
    • A new class of anti-thrombosis hexahydropyrazino-[1',2':1,6] pyrido-[3,4-b]-indole-1,4-dions: Design, synthesis, logK determination, and QSAR analysis
    • Liu, J.W.; Wu, G.F.; Cui, G.H.; Wang, W.X.; Zhao, M.; Wang, C.; Zhang, Z.D.; Peng, S.Q. A new class of anti-thrombosis hexahydropyrazino-[1',2':1,6] pyrido-[3,4-b]-indole-1,4-dions: Design, synthesis, logK determination, and QSAR analysis. Bioorgan. Med. Chem. 2007, 15, 5672-5693.
    • (2007) Bioorgan. Med. Chem. , vol.15 , pp. 5672-5693
    • Liu, J.W.1    Wu, G.F.2    Cui, G.H.3    Wang, W.X.4    Zhao, M.5    Wang, C.6    Zhang, Z.D.7    Peng, S.Q.8
  • 48
    • 0004222346 scopus 로고    scopus 로고
    • Morgan Kaufmann Publishers: San Francisco, CA, USA
    • Kennedy, J.; Eberhart, R.C. Swarm Intelligence; Morgan Kaufmann Publishers: San Francisco, CA, USA, 2001.
    • (2001) Swarm Intelligence
    • Kennedy, J.1    Eberhart, R.C.2
  • 50
    • 50149102400 scopus 로고    scopus 로고
    • Particle swarm optimization technique based short-term hydrothermal scheduling
    • Mandal, K.K.; Basu, M.; Chakraborty, N. Particle swarm optimization technique based short-term hydrothermal scheduling. Appl. Soft Comput. 2008, 8, 1392-1399.
    • (2008) Appl. Soft Comput. , vol.8 , pp. 1392-1399
    • Mandal, K.K.1    Basu, M.2    Chakraborty, N.3
  • 52
    • 0031211090 scopus 로고    scopus 로고
    • A decision-theoretic generalization of online learning and an application to boosting
    • Freund, Y.; Schapire, R.E. A decision-theoretic generalization of online learning and an application to boosting. J. Comput. System Sci. 1997, 55, 119-139.
    • (1997) J. Comput. System Sci. , vol.55 , pp. 119-139
    • Freund, Y.1    Schapire, R.E.2
  • 53
    • 0034164230 scopus 로고    scopus 로고
    • Additive Logistic Regression: A Statistical View of Boosting
    • Friedman, J.; Hastie, T.; Tibshirani, R. Additive Logistic Regression: a Statistical View of Boosting. Ann. Stat. 2000, 28, 337-407.
    • (2000) Ann. Stat. , vol.28 , pp. 337-407
    • Friedman, J.1    Hastie, T.2    Tibshirani, R.3
  • 54
    • 20444483774 scopus 로고    scopus 로고
    • Application of boosting to classification problems in chemometrics
    • DOI 10.1016/j.aca.2005.01.075, PII S0003267005001595
    • Zhang, M.H.; Xu, Q.S.; Daeyaert, F.; Lewi, P.J.; Massart, D.L. Application of boosting to classification problems in chemometrics. Anal. Chim. Acta. 2005, 544, 167-176. (Pubitemid 40814156)
    • (2005) Analytica Chimica Acta , vol.544 , Issue.1-2 SPEC. ISS , pp. 167-176
    • Zhang, M.H.1    Xu, Q.S.2    Daeyaert, F.3    Lewi, P.J.4    Massart, D.L.5
  • 56
    • 34249753618 scopus 로고
    • Support-vector networks
    • Cortes, C.; Vapnik, V. Support-vector networks. Mach. Learn. 1995, 20, 273-297.
    • (1995) Mach. Learn. , vol.20 , pp. 273-297
    • Cortes, C.1    Vapnik, V.2
  • 57
    • 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.; Hui, Z.D.; Fan, B.T. QSAR and classification models of a novel series of COX-2 selective inhibitors: 1, 5-diarylimidazoles based on support vector machines. J. Comput. Aided Mol. Des. 2004, 18, 389-399.
    • (2004) J. Comput. Aided Mol. Des. , vol.18 , pp. 389-399
    • Liu, H.X.1    Zhang, R.S.2    Yao, X.J.3    Liu, M.C.4    Hui, Z.D.5    Fan, B.T.6


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