Qualitative pattern recognition in chemistry: Theoretical background and practical guidelines

Discrimination of legal and illegal Cannabis spp . according to European legislation using near infrared spectroscopy and chemometrics

(2020) Céline Duchateau et al.   Drug Testing and Analysis

Different strategies for class model optimization. A comparative study

(2020) Zuzanna Małyjurek et al.   TALANTA

Differentiating wild, lake-farmed and pond-farmed carp using stable isotope and multi-element analysis of fish scales with chemometrics

(2020) Zhi Liu et al.   FOOD CHEMISTRY

Random forest as one-class classifier and infrared spectroscopy for food adulteration detection

(2019) Felipe Bachion de Santana et al.   FOOD CHEMISTRY

Partial least squares-discriminant analysis (PLS-DA) for classification of high-dimensional (HD) data: a review of contemporary practice strategies and knowledge gaps

(2018) Loong Chuen Lee et al.   ANALYST

Combining spectroscopic techniques and chemometrics for the interpretation of lichen biomonitoring of air pollution

(2018) P. Malaspina et al.   CHEMOSPHERE

GlutoPeak profile analysis for wheat classification: Skipping the refinement process

(2018) Cristina Malegori et al.   JOURNAL OF CEREAL SCIENCE

Raman spectroscopy coupled to chemometrics to discriminate provenance and geological age of amber

(2018) Manuel David Peris-Díaz et al.   JOURNAL OF RAMAN SPECTROSCOPY

The impact of signal pre-processing on the final interpretation of analytical outcomes – A tutorial

(2018) Paolo Oliveri et al.   ANALYTICA CHIMICA ACTA

Raw Material Quality Assessment Approaches Comparison in Pectin Production

(2018) Ricardo F. Caroço et al.   BIOTECHNOLOGY PROGRESS

One input-class and two input-class classifications for differentiating olive oil from other edible vegetable oils by use of the normal-phase liquid chromatography fingerprint of the methyl-transesterified fraction

(2017) Ana M. Jiménez-Carvelo et al.   FOOD CHEMISTRY

Rigorous and compliant approaches to one-class classification

(2016) Oxana Ye. Rodionova et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

A NIR spectroscopy-based efficient approach to detect fraudulent additions within mixtures of dried porcini mushrooms

(2016) Monica Casale et al.   TALANTA

Discriminant analysis is an inappropriate method of authentication

(2016) Oxana Ye. Rodionova et al.   TRAC-TRENDS IN ANALYTICAL CHEMISTRY

Chemometrics and qualitative analysis have a vibrant relationship

(2015) Ewa Szymańska et al.   TRAC-TRENDS IN ANALYTICAL CHEMISTRY

Partial least squares density modeling (PLS-DM) – A new class-modeling strategy applied to the authentication of olives in brine by near-infrared spectroscopy

(2014) Paolo Oliveri et al.   ANALYTICA CHIMICA ACTA

Testing of a VIS-NIR System for the Monitoring of Long-Term Apple Storage

(2014) Roberto Beghi et al.   Food and Bioprocess Technology

Clustering in Analytical Chemistry

(2014) Klaudia Drab et al.   JOURNAL OF AOAC INTERNATIONAL

On the type II error in SIMCA method

(2014) Alexey L. Pomerantsev et al.   JOURNAL OF CHEMOMETRICS

Partial least squares discriminant analysis: taking the magic away

(2014) Richard G. Brereton et al.   JOURNAL OF CHEMOMETRICS

One-class partial least squares (OCPLS) classifier

(2013) Lu Xu et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

One class random forests

(2013) Chesner Désir et al.   PATTERN RECOGNITION

Multivariate class modeling for the verification of food-authenticity claims

(2012) Paolo Oliveri et al.   TRAC-TRENDS IN ANALYTICAL CHEMISTRY

Chemometric evaluation of nine alcohol biomarkers in a large population of clinically-classified subjects: pre-eminence of ethyl glucuronide concentration in hair for confirmatory classification

(2011) Valentina Pirro et al.   ANALYTICAL AND BIOANALYTICAL CHEMISTRY

One-class classifiers

(2011) Richard G. Brereton   JOURNAL OF CHEMOMETRICS

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

(2010) Jan Luts et al.   ANALYTICA CHIMICA ACTA

Complete validation for classification and class modeling procedures with selection of variables and/or with additional computed variables

(2010) M. Forina 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

Artificial neural networks in chemometrics: History, examples and perspectives

(2007) F. Marini et al.   MICROCHEMICAL JOURNAL