-
2
-
-
4644257391
-
An Approach towards the Quantitative Structure-Activity Relationships of Caffeic Acid and its Derivatives
-
Verma, R. P.; Hansch, C. An Approach towards the Quantitative Structure-Activity Relationships of Caffeic Acid and its Derivatives. ChemBioChem 2004, 5, 1188-1195.
-
(2004)
ChemBioChem
, vol.5
, pp. 1188-1195
-
-
Verma, R.P.1
Hansch, C.2
-
3
-
-
0001321370
-
QSPR: The correlation and quantitative prediction of chemical and physical properties from structure
-
Katritzky, A. R.; Lobanov, V. S.; Karelson, M. QSPR: the correlation and quantitative prediction of chemical and physical properties from structure. Chem. Soc. Rev. 1995, 24, 279-287.
-
(1995)
Chem. Soc. Rev
, vol.24
, pp. 279-287
-
-
Katritzky, A.R.1
Lobanov, V.S.2
Karelson, M.3
-
4
-
-
57349180661
-
Augmented three-mode MIA-QSAR modelling for a series of anti-HIV-1 compounds
-
Goodarzi, M.; Freitas, M. P. Augmented three-mode MIA-QSAR modelling for a series of anti-HIV-1 compounds. QSAR Comb. Sci. 2008, 27, 1092-1098.
-
(2008)
QSAR Comb. Sci
, vol.27
, pp. 1092-1098
-
-
Goodarzi, M.1
Freitas, M.P.2
-
5
-
-
23944472111
-
A new search algorithm for QSPR/QSAR theories: Normal boiling points of some organic molecules
-
Duchowicz, P. R.; Castro, E. A.; Fernández, F. M.; González, M. P. A new search algorithm for QSPR/QSAR theories: Normal boiling points of some organic molecules. Chem. Phys. Lett. 2005, 412, 376-380.
-
(2005)
Chem. Phys. Lett
, vol.412
, pp. 376-380
-
-
Duchowicz, P.R.1
Castro, E.A.2
Fernández, F.M.3
González, M.P.4
-
6
-
-
33746220237
-
QSAR of Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase
-
Duchowicz, P. R.; Fernández, M.; Caballero, J.; Castro, E. A.; Fernández, F. M. QSAR of Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase. Bioorg. Med. Chem. 2006, 14, 5876-5889.
-
(2006)
Bioorg. Med. Chem
, vol.14
, pp. 5876-5889
-
-
Duchowicz, P.R.1
Fernández, M.2
Caballero, J.3
Castro, E.A.4
Fernández, F.M.5
-
7
-
-
34347326214
-
Application of the Replacement Method as Novel Variable Selection in QSPR. 2. Soil Sorption Coefficients
-
Duchowicz, P. R.; González, M. P.; Helguera, A. M.; Cordeiro, M. N. D. S.; Castro, E. A. Application of the Replacement Method as Novel Variable Selection in QSPR. 2. Soil Sorption Coefficients. Chemom. Intell. Lab. Syst. 2007, 88, 197-203.
-
(2007)
Chemom. Intell. Lab. Syst
, vol.88
, pp. 197-203
-
-
Duchowicz, P.R.1
González, M.P.2
Helguera, A.M.3
Cordeiro, M.N.D.S.4
Castro, E.A.5
-
8
-
-
38349051907
-
Prediction of Aqueous Toxicity for Heterogeneous Phenol Derivatives by QSAR
-
Duchowicz, P. R.; Mercader, A. G.; Fernández, F. M.; Castro, E. A. Prediction of Aqueous Toxicity for Heterogeneous Phenol Derivatives by QSAR. Chemom. Intell. Lab. Syst. 2008, 90, 97-107.
-
(2008)
Chemom. Intell. Lab. Syst
, vol.90
, pp. 97-107
-
-
Duchowicz, P.R.1
Mercader, A.G.2
Fernández, F.M.3
Castro, E.A.4
-
9
-
-
48449083338
-
QSAR Prediction of Inhibition of Aldose Reductase for Flavonoids
-
Mercader, A. G.; Duchowicz, P. R.; Fernández, F. M.; Castro, E. A.; Bennardi, D. O.; Autino, J. C.; Romanelli, G. P. QSAR Prediction of Inhibition of Aldose Reductase for Flavonoids. Bioorg. Med. Chem. 2008, 16, 7470-7476.
-
(2008)
Bioorg. Med. Chem
, vol.16
, pp. 7470-7476
-
-
Mercader, A.G.1
Duchowicz, P.R.2
Fernández, F.M.3
Castro, E.A.4
Bennardi, D.O.5
Autino, J.C.6
Romanelli, G.P.7
-
10
-
-
34249753618
-
Support vector network, Machine Learning
-
Cortes, C.; Vapnik, V. Support vector network, Machine Learning. Machine Learning 1995, 20, 273-293.
-
(1995)
Machine Learning
, vol.20
, pp. 273-293
-
-
Cortes, C.1
Vapnik, V.2
-
11
-
-
0034687231
-
Prediction of Drug Absorption Using Multivariate Statistics
-
Egan, W. J., Jr.; Merz, K. M.; Baldwin, J. J. Prediction of Drug Absorption Using Multivariate Statistics. J. Med. Chem. 2000, 43, 3867-3877.
-
(2000)
J. Med. Chem
, vol.43
, pp. 3867-3877
-
-
Egan Jr., W.J.1
Merz, K.M.2
Baldwin, J.J.3
-
12
-
-
0037498037
-
Prediction of Aqueous Solubility and Partition Coefficient Optimized by a Genetic Algorithm Based Descriptor Selection Method
-
Wegner, J. K.; Zell, A. Prediction of Aqueous Solubility and Partition Coefficient Optimized by a Genetic Algorithm Based Descriptor Selection Method. J. Chem. Inf. Model. 2003, 43, 1077-1084.
-
(2003)
J. Chem. Inf. Model
, vol.43
, pp. 1077-1084
-
-
Wegner, J.K.1
Zell, A.2
-
13
-
-
0030900210
-
Neural network modeling for estimation of the aqueous solubility of structurally related drugs
-
Huuskonen, J.; Salo, M.; Taskinen, J. Neural network modeling for estimation of the aqueous solubility of structurally related drugs. J. Pharm. Sci. 1997, 86, 450-454.
-
(1997)
J. Pharm. Sci
, vol.86
, pp. 450-454
-
-
Huuskonen, J.1
Salo, M.2
Taskinen, J.3
-
14
-
-
0003408420
-
-
1st ed, MIT Press: Cambridge, MA
-
Schölkopf, B.; Smola, A. In Learning with Kernels: Support Vector Machines, Regularization, Optimization, and Beyond, 1st ed., MIT Press: Cambridge, MA, 2002.
-
(2002)
Learning with Kernels: Support Vector Machines, Regularization, Optimization, and Beyond
-
-
Schölkopf, B.1
Smola, A.2
-
15
-
-
55649105857
-
Hybrid genetic algorithms and support vector regression in forecasting atmospheric corrosion of metallic materials
-
Fang, S. F.; Wang, M. P.; Qi, W. H.; Zheng, F. Hybrid genetic algorithms and support vector regression in forecasting atmospheric corrosion of metallic materials. Comput. Mater. Sci. 2008, 44, 647-655.
-
(2008)
Comput. Mater. Sci
, vol.44
, pp. 647-655
-
-
Fang, S.F.1
Wang, M.P.2
Qi, W.H.3
Zheng, F.4
-
16
-
-
33744925661
-
Hybrid genetic algorithms and support vector machines for bankruptcy prediction
-
Min, S.-H.; Lee, J.; Han, I. Hybrid genetic algorithms and support vector machines for bankruptcy prediction. Expert Syst. Appl. 2006, 31, 652-660.
-
(2006)
Expert Syst. Appl
, vol.31
, pp. 652-660
-
-
Min, S.-H.1
Lee, J.2
Han, I.3
-
18
-
-
0030933050
-
Overview-Flavonoids: A New Family of Benzodiazepine Receptor Ligands
-
Medina, J. H.; Viola, H.; Wolfman, C.; Marder, M.; Wasowski, C.; Calvo, D.; Paladini, A. C. Overview-Flavonoids: A New Family of Benzodiazepine Receptor Ligands. Neurochem. Res. 1997, 22, 419-425.
-
(1997)
Neurochem. Res
, vol.22
, pp. 419-425
-
-
Medina, J.H.1
Viola, H.2
Wolfman, C.3
Marder, M.4
Wasowski, C.5
Calvo, D.6
Paladini, A.C.7
-
19
-
-
0025136261
-
Chrysin (5,7-dihydroxyflavone), a naturally-occuring ligand for benzodiazepine receptors, with anticonvulsant properties
-
Medina, J. H.; Paladini, A. C.; Wolfman, M.; de Stein, L.; Calvo, D.; Diaz, L. E.; Pena, C. Chrysin (5,7-dihydroxyflavone), a naturally-occuring ligand for benzodiazepine receptors, with anticonvulsant properties. Biochem. Pharmacol. 1990, 40, 2227-2231.
-
(1990)
Biochem. Pharmacol
, vol.40
, pp. 2227-2231
-
-
Medina, J.H.1
Paladini, A.C.2
Wolfman, M.3
de Stein, L.4
Calvo, D.5
Diaz, L.E.6
Pena, C.7
-
20
-
-
0033383112
-
The use of benzodiazepines in anxiety and other disorders
-
s407-es412
-
Argyropoulos, S. V.; Nutt, D. The use of benzodiazepines in anxiety and other disorders. Eur. Neuropsychopharmacol. 1999, 6, s407-es412.
-
(1999)
Eur. Neuropsychopharmacol
, vol.6
-
-
Argyropoulos, S.V.1
Nutt, D.2
-
21
-
-
0032547289
-
Detection of benzodiazepine receptor ligands in small libraries of flavone derivatives synthesized by solution phase combinatorial chemistry
-
Marder, M.; Viola, H.; Bacigaluppo, J. A.; Colombo, M. I.; Wasowski, C.; Wolfman, C.; Medina, J. H.; Ruveda, E.; Paladini, A. C. Detection of benzodiazepine receptor ligands in small libraries of flavone derivatives synthesized by solution phase combinatorial chemistry. Biochem. Biophys. Res. Commun. 1998, 249, 481-485.
-
(1998)
Biochem. Biophys. Res. Commun
, vol.249
, pp. 481-485
-
-
Marder, M.1
Viola, H.2
Bacigaluppo, J.A.3
Colombo, M.I.4
Wasowski, C.5
Wolfman, C.6
Medina, J.H.7
Ruveda, E.8
Paladini, A.C.9
-
22
-
-
0032725338
-
Structure-activity relationships and molecular modeling analysis of flavonoids binding to the benzodiazepine site of the rat brain GABA(A) receptor complex
-
Dekermendjian, K.; Kahnberg, P.; Witt, M. R.; Sterner, O.; Nielsen, M.; Liljefors, T. Structure-activity relationships and molecular modeling analysis of flavonoids binding to the benzodiazepine site of the rat brain GABA(A) receptor complex. J. Med. Chem. 1999, 42, 4343-4350.
-
(1999)
J. Med. Chem
, vol.42
, pp. 4343-4350
-
-
Dekermendjian, K.1
Kahnberg, P.2
Witt, M.R.3
Sterner, O.4
Nielsen, M.5
Liljefors, T.6
-
23
-
-
0037208269
-
3D-Pharmacophores of Flavonoid Binding at the Benzodiazepine GABAA Receptor Site Using 4D-QSAR Analysis
-
Hong, X.; Hopfinger, A. J. 3D-Pharmacophores of Flavonoid Binding at the Benzodiazepine GABAA Receptor Site Using 4D-QSAR Analysis. J. Chem. Inf. Model. 2003, 43, 324-326.
-
(2003)
J. Chem. Inf. Model
, vol.43
, pp. 324-326
-
-
Hong, X.1
Hopfinger, A.J.2
-
24
-
-
48149089629
-
QSAR Modeling of the Interaction of Flavonoids with GABA(A) Receptor
-
Duchowicz, P. R.; Vitale, M. G.; Castro, E. A.; Autino, J. C.; Romanelli, G. P.; Bennardi, D. O. QSAR Modeling of the Interaction of Flavonoids with GABA(A) Receptor. Eur. J. Med. Chem. 2008, 43, 1593-1602.
-
(2008)
Eur. J. Med. Chem
, vol.43
, pp. 1593-1602
-
-
Duchowicz, P.R.1
Vitale, M.G.2
Castro, E.A.3
Autino, J.C.4
Romanelli, G.P.5
Bennardi, D.O.6
-
25
-
-
0035821592
-
A Receptors
-
A Receptors. J. Med. Chem. 2001, 44, 1883-1891.
-
(2001)
J. Med. Chem
, vol.44
, pp. 1883-1891
-
-
Huang, X.1
Liu, T.2
Gu, J.3
Luo, X.4
Ji, R.5
Cao, Y.6
Xue, H.7
Wong, J.T.8
Wong, B.L.9
Pei, G.10
Jiang, H.11
Chen, K.12
-
26
-
-
0017690671
-
Electronic factors in the structure-activity relations of some 1,4-benzodiazepin-2-ones
-
Blair, T.; Webb, G. A. Electronic factors in the structure-activity relations of some 1,4-benzodiazepin-2-ones. J. Med. Chem. 1977, 20, 1206-1210.
-
(1977)
J. Med. Chem
, vol.20
, pp. 1206-1210
-
-
Blair, T.1
Webb, G.A.2
-
27
-
-
0027076732
-
Study of Benzodiazepines Receptor Sites Using a Combined QSAR-CoMFA Approach
-
Greco, G.; Novellino, E.; Silipo, C.; Vittoria, A. Study of Benzodiazepines Receptor Sites Using a Combined QSAR-CoMFA Approach. Quant. Struct.-Act. Relat. 1992, 11, 461-477.
-
(1992)
Quant. Struct.-Act. Relat
, vol.11
, pp. 461-477
-
-
Greco, G.1
Novellino, E.2
Silipo, C.3
Vittoria, A.4
-
28
-
-
0030067860
-
Quantitative Structure - Activity Relationship Studies on Benzodiazepine Receptor Binding of Some Nonbenzodiazepine Series of Ligands
-
Gupta, S. P.; Paleti, A. Quantitative Structure - Activity Relationship Studies on Benzodiazepine Receptor Binding of Some Nonbenzodiazepine Series of Ligands. Quant. Struct.-Act. Relat. 1996, 15, 12-16.
-
(1996)
Quant. Struct.-Act. Relat
, vol.15
, pp. 12-16
-
-
Gupta, S.P.1
Paleti, A.2
-
29
-
-
0035082436
-
A receptor complex
-
A receptor complex. Bioorg. Med. Chem. 2001, 9, 323-335.
-
(2001)
Bioorg. Med. Chem
, vol.9
, pp. 323-335
-
-
Marder, M.1
Estiú, G.2
Bruno-Blanch, L.E.3
Viola, H.4
Wasowski, C.5
Medina, J.H.6
Paladini, A.C.7
-
30
-
-
4644228478
-
Comparative Quantitative Structure-Activity Relationship Studies (QSAR) on Non-Benzodiazepine Compounds Binding to Benzodiazepine Receptor (BzR)
-
Hadjipavlou-Litina, D.; Garg, R.; Hansch, C. Comparative Quantitative Structure-Activity Relationship Studies (QSAR) on Non-Benzodiazepine Compounds Binding to Benzodiazepine Receptor (BzR). Chem. Rev. 2004, 104, 3751-3793.
-
(2004)
Chem. Rev
, vol.104
, pp. 3751-3793
-
-
Hadjipavlou-Litina, D.1
Garg, R.2
Hansch, C.3
-
31
-
-
34547143629
-
Synthesis of substituted flavones and arylchromones using P and Si Keggin heteropolyacids as catalysts
-
Bennardi, D. O.; Romanelli, G. P.; Jios, J. L.; Vázquez, P. G.; Cáceres, C. V.; Autino, J. C. Synthesis of substituted flavones and arylchromones using P and Si Keggin heteropolyacids as catalysts. Heterocycl. Commun. 2007, 13, 77-81.
-
(2007)
Heterocycl. Commun
, vol.13
, pp. 77-81
-
-
Bennardi, D.O.1
Romanelli, G.P.2
Jios, J.L.3
Vázquez, P.G.4
Cáceres, C.V.5
Autino, J.C.6
-
32
-
-
33646145333
-
Dynamic Reconstruction of Chaotic Systems from Interspike Intervals Using Least Squares Support Vector Machines
-
Iplikci, S. Dynamic Reconstruction of Chaotic Systems from Interspike Intervals Using Least Squares Support Vector Machines. Physica D 2006, 216, 282-293.
-
(2006)
Physica D
, vol.216
, pp. 282-293
-
-
Iplikci, S.1
-
33
-
-
0000532986
-
Deterministic Point Processes Generated by Threshold Crossings: Dynamics Reconstruction and Chaos Control
-
Ding, M.; Yang, W. Deterministic Point Processes Generated by Threshold Crossings: Dynamics Reconstruction and Chaos Control. Phys. Rev.E 1997, 55, 2397-2402.
-
(1997)
Phys. Rev.E
, vol.55
, pp. 2397-2402
-
-
Ding, M.1
Yang, W.2
-
34
-
-
0037382208
-
Evaluation of Simple Performance Measures for Tuning SVM Hyperparameters
-
Duan, K.; Keerthi, S. S.; Poo, A. N. Evaluation of Simple Performance Measures for Tuning SVM Hyperparameters. Neurocomputing 2003, 51, 41-59.
-
(2003)
Neurocomputing
, vol.51
, pp. 41-59
-
-
Duan, K.1
Keerthi, S.S.2
Poo, A.N.3
-
35
-
-
84898998301
-
Dynamically adapting kernels in Support Vector Machines
-
MIT press
-
Cristianini, N.; Campell, C.; Taylor, J. S. Dynamically adapting kernels in Support Vector Machines. In Advances in Neural Information Processing Systems (NIPS); MIT press: 1999; Vol. 11(2), pp 204-10.
-
(1999)
Advances in Neural Information Processing Systems (NIPS)
, vol.11
, Issue.2
, pp. 204-210
-
-
Cristianini, N.1
Campell, C.2
Taylor, J.S.3
-
36
-
-
0036825821
-
Kernel Methods: A Survey of Current Techniques
-
Campbell, C. Kernel Methods: A Survey of Current Techniques. Neurocomputing 2002, 48, 63-84.
-
(2002)
Neurocomputing
, vol.48
, pp. 63-84
-
-
Campbell, C.1
-
37
-
-
33750732932
-
Global Optimization of Support Vector Machines Using Genetic Algorithms for Bankruptcy Prediction
-
Hong Kong, China
-
Ahn, H.; Lee, K.; Kim, K. J. Global Optimization of Support Vector Machines Using Genetic Algorithms for Bankruptcy Prediction. International Conference on Neural Information Processing;N°13, Hong Kong, China (2006), 2006; Vol. 4234, pp 420-429.
-
(2006)
International Conference on Neural Information Processing
, vol.4234
, Issue.N13
, pp. 420-429
-
-
Ahn, H.1
Lee, K.2
Kim, K.J.3
-
38
-
-
18144394762
-
Forecasting regional electricity load based on recurrent support vector machines with genetic algorithms
-
Pai, P.-F.; Hong, W.-C. Forecasting regional electricity load based on recurrent support vector machines with genetic algorithms. Electr. Pow. Syst. Res. 2005, 74, 417-425.
-
(2005)
Electr. Pow. Syst. Res
, vol.74
, pp. 417-425
-
-
Pai, P.-F.1
Hong, W.-C.2
-
39
-
-
29144521785
-
The Genetic Kernel Support Vector Machine: Description and Evaluation
-
Howley, T.; Madden, M. G. The Genetic Kernel Support Vector Machine: Description and Evaluation. Artif. Intell. Rev. 2005, 24, 379-95.
-
(2005)
Artif. Intell. Rev
, vol.24
, pp. 379-395
-
-
Howley, T.1
Madden, M.G.2
-
40
-
-
58349084263
-
A Novel Hybrid Genetic Algorithm for Kernel Function and Parameter Optimization in Support Vector Regression
-
In Press. doi:10.1016/j.eswa. 2008.06.046
-
Wu, C. H.; Tseng, G. H.; Lin, R. H. A Novel Hybrid Genetic Algorithm for Kernel Function and Parameter Optimization in Support Vector Regression. Expert Syst. Appl 2008, 42, In Press. doi:10.1016/j.eswa. 2008.06.046.
-
(2008)
Expert Syst. Appl
, vol.42
-
-
Wu, C.H.1
Tseng, G.H.2
Lin, R.H.3
-
41
-
-
1542542680
-
A New Face Authentication System for Memory-Constrained Devices
-
Lee, K.; Byun, H. A New Face Authentication System for Memory-Constrained Devices. IEEE T. Consum Electr. 2003, 49, 1214-1222.
-
(2003)
IEEE T. Consum Electr
, vol.49
, pp. 1214-1222
-
-
Lee, K.1
Byun, H.2
-
42
-
-
12344273544
-
Object detection using feature subset selection
-
Sun, Z.; Bebis, G.; Miller, R. Object detection using feature subset selection. Pattern Recognit. 2004, 37, 2165-2176.
-
(2004)
Pattern Recognit
, vol.37
, pp. 2165-2176
-
-
Sun, Z.1
Bebis, G.2
Miller, R.3
-
43
-
-
4444234496
-
Data mining techniques for cancer detection using serum proteomic profiling
-
Li, L.; Tang, H.; Wu, Z.; Gong, J.; Gruidl, M.; Zou, J.; Tockman, M.; Clark, R. A. Data mining techniques for cancer detection using serum proteomic profiling. Artif. Intell. Med. 2004, 32, 71-83.
-
(2004)
Artif. Intell. Med
, vol.32
, pp. 71-83
-
-
Li, L.1
Tang, H.2
Wu, Z.3
Gong, J.4
Gruidl, M.5
Zou, J.6
Tockman, M.7
Clark, R.A.8
-
44
-
-
0345978376
-
Fault detection using support vector machines and artificial neural networks, augmented by genetic algorithms
-
Jack, L. B.; Nandi, A. K. Fault detection using support vector machines and artificial neural networks, augmented by genetic algorithms. Mech. Syst. Signal Pr. 2002, 16, 373-390.
-
(2002)
Mech. Syst. Signal Pr
, vol.16
, pp. 373-390
-
-
Jack, L.B.1
Nandi, A.K.2
-
45
-
-
33646390798
-
-
Kim, D. S.; Nguyen, H.-N.; Park, J. S. Genetic algorithm to improve SVM based network intrusion detection system. Proceedings of the 19th International Conference on Advanced Information Networking and Applications (AINA 2005), 28-30 March 2005, Taipei, Taiwan, IEEE Computer Society 2005, pp 155-158.
-
Kim, D. S.; Nguyen, H.-N.; Park, J. S. Genetic algorithm to improve SVM based network intrusion detection system. Proceedings of the 19th International Conference on Advanced Information Networking and Applications (AINA 2005), 28-30 March 2005, Taipei, Taiwan, IEEE Computer Society 2005, pp 155-158.
-
-
-
-
46
-
-
26944462332
-
A novel approach to extracting features from motif content and protein composition for protein sequence classification
-
Zhao, X.-M.; Cheung, Y.-M.; Huang, D.-S. A novel approach to extracting features from motif content and protein composition for protein sequence classification. Neural Networks 2005, 18, 1019-1028.
-
(2005)
Neural Networks
, vol.18
, pp. 1019-1028
-
-
Zhao, X.-M.1
Cheung, Y.-M.2
Huang, D.-S.3
-
47
-
-
0942289503
-
Gear fault detection using artificial neural networks and support vector machines with genetic algorithms
-
Samanta, B. Gear fault detection using artificial neural networks and support vector machines with genetic algorithms. Mech. Syst. Signal Pr. 2004, 18, 625-644.
-
(2004)
Mech. Syst. Signal Pr
, vol.18
, pp. 625-644
-
-
Samanta, B.1
-
48
-
-
0034825422
-
Comparison of genetic algorithm based prototype selection schemes
-
Babu, T. R.; Murty, M. N. Comparison of genetic algorithm based prototype selection schemes. Pattern Recognit. 2001, 34, 523-525.
-
(2001)
Pattern Recognit
, vol.34
, pp. 523-525
-
-
Babu, T.R.1
Murty, M.N.2
-
49
-
-
67650027505
-
-
Matlab, Version 7.5; MathWorks Inc, Natick, 2007
-
Matlab, Version 7.5; MathWorks Inc.: Natick, 2007.
-
-
-
-
50
-
-
2942512699
-
-
November, 2002. Software available at, accessed Apr 16, 2009
-
Pelckmans, K.; Suykens, J. A. K.; Van Gestel, T.; De Brabanter, J.; Lukas, L.; Hamers, B.; De Moor, B.; Vandewalle, J. LS-SVMlab Toolbox User's Guide Version 1.4; November, 2002. Software available at http://www.esat.kuleuven.ac.be/sista/lssvmlab (accessed Apr 16, 2009).
-
LS-SVMlab Toolbox User's Guide Version 1.4
-
-
Pelckmans, K.1
Suykens, J.A.K.2
Van Gestel, T.3
De Brabanter, J.4
Lukas, L.5
Hamers, B.6
De Moor, B.7
Vandewalle, J.8
-
51
-
-
33750455785
-
A new medical decision making system: Least square support vector machine (LSSVM) with Fuzzy Weighting Pre-processing
-
Comaka, E.; Polatb, K.; Güneşb, S.; Arslana, A. A new medical decision making system: Least square support vector machine (LSSVM) with Fuzzy Weighting Pre-processing. Expert Syst. Appl. 2007, 32, 409-414.
-
(2007)
Expert Syst. Appl
, vol.32
, pp. 409-414
-
-
Comaka, E.1
Polatb, K.2
Güneşb, S.3
Arslana, A.4
-
52
-
-
67650010437
-
-
HyperChem, Version 7.0; Hypercube, Inc, Gainesville, 2007
-
HyperChem, Version 7.0; Hypercube, Inc.: Gainesville, 2007.
-
-
-
-
53
-
-
67650043904
-
-
Milano Chemometrics and QSAR Research Group, accessed Apr 16, 2009
-
Milano Chemometrics and QSAR Research Group. http://michem. disat.unimib.it/chm (accessed Apr 16, 2009).
-
-
-
-
55
-
-
0037361983
-
Assessing Model Fit by Cross Validation
-
Hawkins, D. M.; Basak, S. C.; Mills, D. Assessing Model Fit by Cross Validation. J. Chem. Inf. Model. 2003, 43, 579-586.
-
(2003)
J. Chem. Inf. Model
, vol.43
, pp. 579-586
-
-
Hawkins, D.M.1
Basak, S.C.2
Mills, D.3
-
57
-
-
34247224391
-
New multicollinearity indicators in linear regression models
-
Curto, J. D.; Pinto, J. C. New multicollinearity indicators in linear regression models. Int. Statist. Rev. 2007, 75, 114-121.
-
(2007)
Int. Statist. Rev
, vol.75
, pp. 114-121
-
-
Curto, J.D.1
Pinto, J.C.2
-
59
-
-
9444296174
-
Highly discriminating distance based topological index
-
Balaban, A. T. Highly discriminating distance based topological index. Chem. Phys. Lett. 1982, 89, 399-404.
-
(1982)
Chem. Phys. Lett
, vol.89
, pp. 399-404
-
-
Balaban, A.T.1
-
60
-
-
0024715264
-
Molecular identification number for substructure searches
-
Burden, F. R. Molecular identification number for substructure searches. J. Chem. Inf. Comput. Sci. 1989, 29, 225-227.
-
(1989)
J. Chem. Inf. Comput. Sci
, vol.29
, pp. 225-227
-
-
Burden, F.R.1
-
61
-
-
0001057103
-
Autocorrelation of a molecular structure: A new molecular descriptor
-
Moreau, G.; Broto, P. Autocorrelation of a molecular structure: a new molecular descriptor. Nouv. J. Chim. 1980, 4, 359-360.
-
(1980)
Nouv. J. Chim
, vol.4
, pp. 359-360
-
-
Moreau, G.1
Broto, P.2
-
62
-
-
0036589142
-
Structure/Response Correlations and Similarity/Diversity Analysis by GETAWAY Descriptors. 2. Application of the Novel 3D Molecular Descriptors to QSAR/QSPR Studies
-
Consonni, V.; Todeschini, R.; Pavan, M. Structure/Response Correlations and Similarity/Diversity Analysis by GETAWAY Descriptors. 2. Application of the Novel 3D Molecular Descriptors to QSAR/QSPR Studies. J. Chem. Inf. Model. 2002, 42, 693-705.
-
(2002)
J. Chem. Inf. Model
, vol.42
, pp. 693-705
-
-
Consonni, V.1
Todeschini, R.2
Pavan, M.3
-
63
-
-
66149118918
-
Feature Selection and Linear/Non-Linear Regression Methods for the Accurate Prediction of Glycogen Synthase Kinase-3β Inhibitory Activities
-
In press. doi:10.1021/ci9000103
-
Goodarzi, M.; Freitas, M. P.; Jensen, R. Feature Selection and Linear/Non-Linear Regression Methods for the Accurate Prediction of Glycogen Synthase Kinase-3β Inhibitory Activities. J. Chem. Inf. Model. 2009In press. doi:10.1021/ci9000103.
-
(2009)
J. Chem. Inf. Model
-
-
Goodarzi, M.1
Freitas, M.P.2
Jensen, R.3
-
64
-
-
56349138998
-
Predicting Boiling Points of Aliphatic Alcohols through Multivariate Image Analysis Applied to Quantitative Structure-Property Relationships
-
Goodarzi, M.; Freitas, M. P. Predicting Boiling Points of Aliphatic Alcohols through Multivariate Image Analysis Applied to Quantitative Structure-Property Relationships. J. Phys. Chem. A 2008, 112, 11263-11265.
-
(2008)
J. Phys. Chem. A
, vol.112
, pp. 11263-11265
-
-
Goodarzi, M.1
Freitas, M.P.2
-
65
-
-
61349178836
-
On the use of PLS and N-PLS in MIAQSAR: Azole antifungals
-
Goodarzi, M.; Freitas, M. P. On the use of PLS and N-PLS in MIAQSAR: Azole antifungals. Chemom. Intell. Lab. Syst. 2008, 96, 59-62.
-
(2008)
Chemom. Intell. Lab. Syst
, vol.96
, pp. 59-62
-
-
Goodarzi, M.1
Freitas, M.P.2
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