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Original Articles

Cross-Validatory Estimation of the Number of Components in Factor and Principal Components Models

Pages 397-405 | Published online: 09 Apr 2012

Keep up to date with the latest research on this topic with citation updates for this article.

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Alan M. Polansky & Santu Ghosh. (2016) Using observed confidence levels to perform principal component analyses. Communications in Statistics - Theory and Methods 45:12, pages 3596-3611.
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P. R. Murumkar, A. C. Shinde, M. K. Sharma, H. Yamaguchi, P. B. Miniyar & M. R. Yadav. (2016) Development of a credible 3D-QSAR CoMSIA model and docking studies for a series of triazoles and tetrazoles containing 11β-HSD1 inhibitors. SAR and QSAR in Environmental Research 27:4, pages 265-292.
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E. Pourbasheer, S. Shokouhi Tabar, V.H. Masand, R. Aalizadeh & M.R. Ganjali. (2015) 3D-QSAR and docking studies on adenosine A2A receptor antagonists by the CoMFA method. SAR and QSAR in Environmental Research 26:6, pages 461-477.
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Dan Yang, Zongming Ma & Andreas Buja. (2014) A Sparse Singular Value Decomposition Method for High-Dimensional Data. Journal of Computational and Graphical Statistics 23:4, pages 923-942.
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Alberto Ferrer. (2014) Latent Structures-Based Multivariate Statistical Process Control: A Paradigm Shift. Quality Engineering 26:1, pages 72-91.
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Viney Kumar, Manish K. Gupta, Gagandip Singh & Yenamandra S. Prabhakar. (2013) CP-MLR/PLS directed QSAR study on the glutaminyl cyclase inhibitory activity of imidazoles: rationales to advance the understanding of activity profile. Journal of Enzyme Inhibition and Medicinal Chemistry 28:3, pages 515-522.
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L. Akyüz, E. Sarıpınar, E. Kaya & E. Yanmaz. (2012) 4D-QSAR study of HEPT derivatives by electron conformational–genetic algorithm method. SAR and QSAR in Environmental Research 23:5-6, pages 409-433.
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Liuxia Wang. (2012) Bayesian principal component regression with data-driven component selection. Journal of Applied Statistics 39:6, pages 1177-1189.
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B. K. Sharma, P. Singh, P. Pilania, M. Shekhawat & Y.S. Prabhakar. (2012) QSAR of 2-(4-methylsulphonylphenyl)pyrimidine derivatives as cyclooxygenase-2 inhibitors: simple structural fragments as potential modulators of activity. Journal of Enzyme Inhibition and Medicinal Chemistry 27:2, pages 249-260.
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P. Brain, F. Strimenopoulou & M. Ivarsson. (2012) Generalized Semilinear Canonical Correlation Analysis Applied to the Analysis of Electroencephalogram (EEG) Data. Statistics in Biopharmaceutical Research 4:2, pages 149-161.
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Ming Hao, Yan Li, Shu-Wei Zhang & Wei Yang. (2011) Investigation on the binding mode of benzothiophene analogues as potent factor IXa (FIXa) inhibitors in thrombosis by CoMFA, docking and molecular dynamic studies. Journal of Enzyme Inhibition and Medicinal Chemistry 26:6, pages 792-804.
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Shreekant Deshpande, Rinki Singh, Mohammad Goodarzi, Seturam B. Katti & Yenamandra S. Prabhakar. (2011) Consensus features of CP-MLR and GA in modeling HIV-1 RT inhibitory activity of 4-benzyl/benzoylpyridin-2-one analogues. Journal of Enzyme Inhibition and Medicinal Chemistry 26:5, pages 696-705.
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J Kwetegyeka, J Masa, BT Kiremire, GB Mpango & O Grahl-Nielsen. (2011) Fatty acids of polar lipids in heart tissue are good taxonomic markers for tropical African freshwater fish. African Journal of Aquatic Science 36:2, pages 115-127.
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Brij K. Sharma, Pradeep Pilania, Prithvi Singh & Yenamandra S. Prabhakar. (2011) A QSAR study on 2-(4-methylpiperazin-1-yl)quinoxalines as human histamine H4 receptor ligands. Journal of Enzyme Inhibition and Medicinal Chemistry 26:3, pages 412-421.
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B.K. Sharma, P. Singh, M. Shekhawat, K. Sarbhai & Y.S. Prabhakar. (2011) Modelling of serotonin reuptake inhibitory and histamine H3 antagonistic activity of piperazine and diazepane amides: QSAR rationales for co-optimization of the activity profiles. SAR and QSAR in Environmental Research 22:3-4, pages 365-383.
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K. Şahin, E. Sarıpınar, E. Yanmaz & N. Geçen. (2011) Quantitative bioactivity prediction and pharmacophore identification for benzotriazine derivatives using the electron conformational–genetic algorithm in QSAR. SAR and QSAR in Environmental Research 22:3-4, pages 217-238.
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Liuxia Wang & Yulin Li. (2010) Detecting the Dimensionality for Principal Components Model. Communications in Statistics - Simulation and Computation 39:6, pages 1073-1082.
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B.K. Sharma, P. Singh, K. Sarbhai & Y.S. Prabhakar. (2010) A quantitative structure-activity relationship study on serotonin 5-HT6 receptor ligands: indolyl and piperidinyl sulphonamides. SAR and QSAR in Environmental Research 21:3-4, pages 369-388.
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B.K. Sharma, P. Pilania, P. Singh & Y.S. Prabhakar. (2010) Combinatorial protocol in multiple linear regression/partial least-squares directed rationale for the caspase-3 inhibition activity of isoquinoline-1,3,4-trione derivatives. SAR and QSAR in Environmental Research 21:1-2, pages 169-185.
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Weibin Zha, Jiye A, Guangji Wang, Bei Yan, Shenghua Gu, Xuanxuan Zhu, Haiping Hao, Qing Huang, Jianguo Sun, Ying Zhang, Bei Cao & Hongcan Ren. (2009) Metabonomic characterization of early atherosclerosis in hamsters with induced cholesterol. Biomarkers 14:6, pages 372-380.
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G. Balcerowska, R. Siuda, J. Skrzypczak, A. Łukanowski & C. Sadowski. (2009) Effect of particle size and spectral sub-range within the UV-VIS-NIR range using diffuse reflectance spectra on multivariate models in evaluating the severity of fusariosis in ground wheat. Food Additives & Contaminants: Part A 26:5, pages 726-732.
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Zaheer- Ul-Haq, Abdul Wadood & Reaz Uddin. (2009) CoMFA and CoMSIA 3D-QSAR analysis on hydroxamic acid derivatives as urease inhibitors. Journal of Enzyme Inhibition and Medicinal Chemistry 24:1, pages 272-278.
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Shreekant Deshpande, V. Raja Solomon, Setu B. Katti & Yenamandra S. Prabhakar. (2009) Topological descriptors in modelling antimalarial activity: N1-(7-chloro-4-quinolyl)-1,4-bis(3-aminopropyl)piperazine as prototype. Journal of Enzyme Inhibition and Medicinal Chemistry 24:1, pages 94-104.
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Sugnet Gardner-Lubbe, Niël J. Le Roux & John C. Gowers. (2008) Measures of fit in principal component and canonical variate analyses. Journal of Applied Statistics 35:9, pages 947-965.
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A.K. Saxena & P. Prathipati. (2003) Comparison of MLR, PLS and GA-MLR in QSAR analysis*. SAR and QSAR in Environmental Research 14:5-6, pages 433-445.
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K. Hasegawa & K. Funatsu. (2000) Partial Least Squares Modeling and Genetic Algorithm Optimization in Quantitative Structure-Activity Relationships. SAR and QSAR in Environmental Research 11:3-4, pages 189-209.
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Kwan R. Lee, Jacob Bongers, Dipti Gulati & Sudhir Burman. (2000) Statistical Validation of Reproducibility of HPLC Peptide Mapping for the Identity of an Investigational Drug Compound Based on Principal Component Analysis. Drug Development and Industrial Pharmacy 26:10, pages 1045-1057.
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ThomasT. Noji, Knut Yngve Børsheim, Francisco Rey & Ragnar Nortvedt. (1999) Dissolved organic carbon associated with sinking can be crucial for estimates of vertical carbon flux. Sarsia 84:2, pages 129-135.
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Scott W. Garden & Peter L. Freeman. (1998) Applications of Near-Infrared Spectroscopy in Malting: Calibrations for Analysis of Green Malt. Journal of the American Society of Brewing Chemists 56:4, pages 159-163.
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Rolando Biscay, Luis M. Rodríguez & Eloísa. Díaz-Frances. (1997) Cross-validation of covariance structures using the frobenius matrix distance as a discrepancy function. Journal of Statistical Computation and Simulation 58:3, pages 195-215.
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Mathias Nilsson, Per Åman, Helena Härkönen, Göran Hallmans, Knud Erik Bach Knudsen, Witold Mazur & Herman Adlercreutz. (1997) Nutrient and lignan content, dough properties and baking performance of rye samples used in Scandinavia. Acta Agriculturae Scandinavica, Section B — Soil & Plant Science 47:1, pages 26-34.
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A. Garrido Frenich, M. Martínez Galera, J.L.Martínez Vidal, P. Parrilla Vázquez & M.D.Gil García. (1997) Comparative Study for Determining Diuron and Chlorpyrifos at PPB Levels by First Derivative Spectra and Multivariate Calibration Methods. Analytical Letters 30:2, pages 341-358.
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Theodora Kourti & John F. MacGregor. (1996) Multivariate SPC Methods for Process and Product Monitoring. Journal of Quality Technology 28:4, pages 409-428.
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Alfred Wiedensohler, David S. Covert, Erik Swietlicki, Pasi Aalto, Jost Heintzenberg & Caroline Leck. (1996) Occurrence of an ultrafine particle mode less than 20 nm in diameter in the marine boundary layer during Arctic summer and autumn. Tellus B: Chemical and Physical Meteorology 48:2, pages 213-222.
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Bert van Bavel, Mats Tysklind, Gunilla Lindström & Christoffer Rappe. (1995) Multivariate structure‐activity relationships for farmacokinetic uptake/elimination curves of polychlorinated dibenzofurans in adipose tissue for four animal species. Toxicological & Environmental Chemistry 52:1-4, pages 45-56.
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M. Tysklind, P. Andersson, P. Haglund, B. van Bavel & C. Rappe. (1995) Selection of Polychlorinated Biphenyls for use in Quantitative Structure-Activity Modelling. SAR and QSAR in Environmental Research 4:1, pages 11-19.
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Vito Librando. (1995) Multivariate Analysis of Polycyclic Aromatic Compounds in Suspended Particulate. Polycyclic Aromatic Compounds 5:1-4, pages 175-183.
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Wojtek J. Krzanowski & Paul Kline. (1995) Cross-Validation for Choosing the Number of Important Components in Principal Component Analysis. Multivariate Behavioral Research 30:2, pages 149-165.
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Paul Nomikos & JohnF. MacGregor. (1995) Multivariate SPC Charts for Monitoring Batch Processes. Technometrics 37:1, pages 41-59.
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Tord Magnusson. (1995) Relationships between soil properties and the soil atmosphere in Swedish forest soils. Scandinavian Journal of Forest Research 10:1-4, pages 209-217.
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NosaO. Egiebor & Banda Herath. (1991) A MULTIVARIATE ANALYSIS OF PROPERTY-REACTIVITY RELATIONSHIP OF COAL DURING SUPERCRITICAL FLUID EXTRACTION. Fuel Science and Technology International 9:6, pages 769-789.
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Yuan Liu, Jian-Bo Tong, Peng Gao, Xuan-lu Fan, Xue-chun Xiao & Yi-chaung Xing. Combining QSAR techniques, molecular docking, and molecular dynamics simulations to explore anti-tumor inhibitors targeting Focal Adhesion Kinase. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-17.
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