An efficient and accurate numerical determination of the cluster resolution metric in two dimensions

Comparison of variable selection methods in partial least squares regression

(2020) Tahir Mehmood et al.   JOURNAL OF CHEMOMETRICS

Towards Standardization of Data Normalization Strategies to Improve Urinary Metabolomics Studies by GC×GC-TOFMS

(2020) Seo Lin Nam et al.   Metabolites

A Comparison of Random Forest Variable Selection Methods for Classification Prediction Modeling

(2019) Jaime Lynn Speiser et al.   EXPERT SYSTEMS WITH APPLICATIONS

Sparse Projection Pursuit Analysis: An Alternative for Exploring Multivariate Chemical Data

(2019) Stephen P. Driscoll et al.   ANALYTICAL CHEMISTRY

Dealing with high-dimensional class-imbalanced datasets: Embedded feature selection for SVM classification

(2018) Sebastián Maldonado et al.   APPLIED SOFT COMPUTING

Evaluation of storage time effect on saffron chemical profile using gas chromatography and spectrophotometry techniques coupled with chemometrics

(2018) Hassan Sereshti et al.   JOURNAL OF FOOD SCIENCE AND TECHNOLOGY-MYSORE

Disentangling Structural Confusion through Machine Learning: Structure Prediction and Polymorphism of Equiatomic Ternary Phases ABC

(2017) Anton O. Oliynyk et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Comprehensive two-dimensional gas chromatographic profiling and chemometric interpretation of the volatile profiles of sweat in knit fabrics

(2016) A. Paulina de la Mata et al.   ANALYTICAL AND BIOANALYTICAL CHEMISTRY

Classifying Crystal Structures of Binary Compounds AB through Cluster Resolution Feature Selection and Support Vector Machine Analysis

(2016) Anton O. Oliynyk et al.   CHEMISTRY OF MATERIALS

Comparison of the variable importance in projection (VIP) and of the selectivity ratio (SR) methods for variable selection and interpretation

(2015) Mireia Farrés et al.   JOURNAL OF CHEMOMETRICS

Axillary odour build-up in knit fabrics following multiple use cycles

(2014) Rachel H. McQueen et al.   International Journal of Clothing Science and Technology

Feature subset selection Filter–Wrapper based on low quality data

(2013) José M. Cadenas et al.   EXPERT SYSTEMS WITH APPLICATIONS

Recursive weighted partial least squares (rPLS): an efficient variable selection method using PLS

(2013) Åsmund Rinnan et al.   JOURNAL OF CHEMOMETRICS

Re-centered kurtosis as a projection pursuit index for multivariate data analysis

(2013) Siyuan Hou et al.   JOURNAL OF CHEMOMETRICS

Regularized projection pursuit for data with a small sample-to-variable ratio

(2013) Siyuan Hou et al.   Metabolomics

A review of variable selection methods in Partial Least Squares Regression

(2012) Tahir Mehmood et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

Three-dimensional cluster resolution for guiding automatic chemometric model optimization

(2012) Nikolai A. Sinkov et al.   TALANTA

Fast and simple methods for the optimization of kurtosis used as a projection pursuit index

(2011) S. Hou et al.   ANALYTICA CHIMICA ACTA

Automated optimization and construction of chemometric models based on highly variable raw chromatographic data

(2011) Nikolai A. Sinkov et al.   ANALYTICA CHIMICA ACTA

A genetic algorithm-Bayesian network approach for the analysis of metabolomics and spectroscopic data: application to the rapid detection of Bacillus spores and identification of Bacillus species

(2011) Elon Correa et al.   BMC BIOINFORMATICS

A tutorial on support vector machine-based methods for classification problems in chemometrics

(2010) Jan Luts et al.   ANALYTICA CHIMICA ACTA

Cluster resolution: A metric for automated, objective and optimized feature selection in chemometric modeling

(2010) Nikolai A. Sinkov et al.   TALANTA

Variable Selection Using Iterative Reformulation of Training Set Models for Discrimination of Samples: Application to Gas Chromatography/Mass Spectrometry of Mouse Urinary Metabolites

(2009) Kanet Wongravee et al.   ANALYTICAL CHEMISTRY

Biomarker discovery in mass spectral profiles by means of selectivity ratio plot

(2008) Tarja Rajalahti et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

Calculation of the reliability of classification in discriminant partial least-squares binary classification

(2008) Néstor F. Pérez et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS