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The Journal of Chemical Physics|August 28, 2009
Neural network approach to quantum-chemistry data: accurate prediction of density functional theory energiesRoman M Balabin, Ekaterina I LomakinaThe Analyst|February 17, 2012
Interpolation and extrapolation problems of multivariate regression in analytical chemistry: benchmarking the robustness on near-infrared (NIR) spectroscopy dataRoman M Balabin, Sergey V SmirnovPhysical Chemistry Chemical Physics : PCCP|May 20, 2011
Support vector machine regression (LS-SVM)--an alternative to artificial neural networks (ANNs) for the analysis of quantum chemistry data?Roman M Balabin, Ekaterina I LomakinaTalanta|June 8, 2011
Melamine detection by mid- and near-infrared (MIR/NIR) spectroscopy: a quick and sensitive method for dairy products analysis including liquid milk, infant formula, and milk powderRoman M Balabin, Sergey V SmirnovAnalytica Chimica Acta|March 15, 2011
Biodiesel classification by base stock type (vegetable oil) using near infrared spectroscopy dataRoman M Balabin, Ravilya Z SafievaAnalytica Chimica Acta|April 20, 2011
Variable selection in near-infrared spectroscopy: benchmarking of feature selection methods on biodiesel dataRoman M Balabin, Sergey V SmirnovThe Analyst|February 26, 2011
Support vector machine regression (SVR/LS-SVM)--an alternative to neural networks (ANN) for analytical chemistry? Comparison of nonlinear methods on near infrared (NIR) spectroscopy dataRoman M Balabin, Ekaterina I LomakinaJournal of Colloid and Interface Science|December 7, 2007
Petroleum resins adsorption onto quartz sand: near infrared (NIR) spectroscopy studyRoman M Balabin, Rustem Z SyunyaevAnalytica Chimica Acta|June 15, 2010
Gasoline classification using near infrared (NIR) spectroscopy data: comparison of multivariate techniquesRoman M Balabin, Ravilya Z Safieva, Ekaterina I LomakinaJournal of the American Society for Mass Spectrometry|November 3, 2009
Fragmentation of benzylpyridinium "thermometer" ions and its effect on the accuracy of internal energy calibrationKonstantin V Barylyuk, Konstantin Chingin, Roman M Balabin, et al.Pageof 3