Interpolation and extrapolation problems of multivariate regression in analytical chemistry: benchmarking the robustness on near-infrared (NIR) spectroscopy data

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 data

(2011) Roman M. Balabin et al.   ANALYST

Variable selection in near-infrared spectroscopy: Benchmarking of feature selection methods on biodiesel data

(2011) Roman M. Balabin et al.   ANALYTICA CHIMICA ACTA

Process Analytical Chemistry

(2011) Jerome Workman et al.   ANALYTICAL CHEMISTRY

Near-Infrared (NIR) Spectroscopy for Biodiesel Analysis: Fractional Composition, Iodine Value, and Cold Filter Plugging Point from One Vibrational Spectrum

(2011) Roman M. Balabin et al.   ENERGY & FUELS

Support vector machine regression (LS-SVM)—an alternative to artificial neural networks (ANNs) for the analysis of quantum chemistry data?

(2011) Roman M. Balabin et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Gasoline classification using near infrared (NIR) spectroscopy data: Comparison of multivariate techniques

(2010) Roman M. Balabin et al.   ANALYTICA CHIMICA ACTA

Visualization and Recovery of the (Bio)chemical Interesting Variables in Data Analysis with Support Vector Machine Classification

(2010) Patrick W. T. Krooshof et al.   ANALYTICAL CHEMISTRY

Rapid Screening of Fatty Acids Using Nanostructure-Initiator Mass Spectrometry

(2010) Wolfgang Reindl et al.   ANALYTICAL CHEMISTRY

Chemometrics

(2010) Barry Lavine et al.   ANALYTICAL CHEMISTRY

Development of Robust Calibration Models Using Support Vector Machines for Spectroscopic Monitoring of Blood Glucose

(2010) Ishan Barman et al.   ANALYTICAL CHEMISTRY

Neural network (ANN) approach to biodiesel analysis: Analysis of biodiesel density, kinematic viscosity, methanol and water contents using near infrared (NIR) spectroscopy

(2010) Roman M. Balabin et al.   FUEL

Analytical methods and recent developments in the detection of melamine

(2010) Fengxia Sun et al.   TRAC-TRENDS IN ANALYTICAL CHEMISTRY

Vibrational spectroscopy provides a green tool for multi-component analysis

(2010) Javier Moros et al.   TRAC-TRENDS IN ANALYTICAL CHEMISTRY

Process Analytical Chemistry

(2009) Jerome Workman et al.   ANALYTICAL CHEMISTRY

Determination of the Composition of Fatty Acid Mixtures Using GC × FI-MS: A Comprehensive Two-Dimensional Separation Approach

(2009) Leila Hejazi et al.   ANALYTICAL CHEMISTRY

Tautomeric equilibrium and hydrogen shifts in tetrazole and triazoles: Focal-point analysis and ab initio limit

(2009) Roman M. Balabin   JOURNAL OF CHEMICAL PHYSICS

Neural network approach to quantum-chemistry data: Accurate prediction of density functional theory energies

(2009) Roman M. Balabin et al.   JOURNAL OF CHEMICAL PHYSICS

Stand-off Raman spectroscopy

(2009) Alison J. Hobro et al.   TRAC-TRENDS IN ANALYTICAL CHEMISTRY

Single-Shot Biodiesel Analysis: Nearly Instantaneous Typification and Quality Control Solely by Ambient Mass Spectrometry

(2008) Patricia V. Abdelnur et al.   ANALYTICAL CHEMISTRY

Chemometrics

(2008) Barry Lavine et al.   ANALYTICAL CHEMISTRY

Applying Near-Infrared Spectroscopy in Downstream Processing: One Calibration for Multiple Clarification Processes of Fermentation Media

(2008) L.O. Rodrigues et al.   BIOTECHNOLOGY PROGRESS

Wavelet neural network (WNN) approach for calibration model building based on gasoline near infrared (NIR) spectra

(2008) Roman M. Balabin et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

Dispersed Structure of Ethanol‐Gasoline Fuel According to Dynamic Light Scattering Method

(2008) Roman M. Balabin   JOURNAL OF DISPERSION SCIENCE AND TECHNOLOGY

Polarization of Fluorescence of Asphaltene Containing Systems

(2008) R. Z. Syunyaev et al.   JOURNAL OF DISPERSION SCIENCE AND TECHNOLOGY

Petroleum resins adsorption onto quartz sand: Near infrared (NIR) spectroscopy study

(2007) Roman M. Balabin et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE