Keyword

SIMCA

Description: Soft independent modeling of class analogies is a supervised chemometric classification method that models classes separately from measured data.

Primary topic: Spectroscopy and Chemometric Analyses (65%)

Wikidata ID: wiki/Q7553984

OpenAlex ID: keywords/simca

PLS/OPLS models in metabolomics: the impact of permutation of dataset rows on the K-fold cross-validation quality parameters

2014 · Mohamed N Triba, Laurence Le Moyec, et al. · Molecular BioSystems · 687

SIMCA: A Method for Analyzing Chemical Data in Terms of Similarity and Analogy

1977 · SVANTE WOLD, MICHAEL SJÖSTRÖM · ACS symposium series · 618

Alternative data mining/machine learning methods for the analytical evaluation of food quality and authenticity – A review

2019 · Ana M. Jiménez-Carvelo, Antonio González-Casado, et al. · Food Research International · 353

Trials and tribulations of ‘omics data analysis: assessing quality of SIMCA-based multivariate models using examples from pulmonary medicine

2013 · Åsa M Wheelock, Craig E Wheelock · Molecular BioSystems · 339

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Multivariate analysis of remote laser-induced breakdown spectroscopy spectra using partial least squares, principal component analysis, and related techniques

2008 · Samuel M. Clegg, Elizabeth Sklute, et al. · Spectrochimica Acta Part B Atomic Spectroscopy · 327

Detection of epithelial ovarian cancer using 1 H‐NMR‐based metabonomics

2004 · Kunle Odunsi, Robert M. Wollman, et al. · International Journal of Cancer · 317

Chemometric Models for Toxicity Classification Based on NMR Spectra of Biofluids

2000 · Elaine Holmes, Andrew W. Nicholls, et al. · Chemical Research in Toxicology · 276

DD-SIMCA – A MATLAB GUI tool for data driven SIMCA approach

2017 · Y.V. Zontov, O.Ye. Rodionova, et al. · Chemometrics and Intelligent Laboratory Systems · 261

Fourier Transform Infrared microspectroscopy and chemometrics as a tool for the discrimination of cyanobacterial strains

1999 · Mustafa Kansiz, Philip Heraud, et al. · Phytochemistry · 238

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

2010 · Roman M. Balabin, Ravilya Z. Safieva, et al. · Analytica Chimica Acta · 237

Data-fusion for multiplatform characterization of an italian craft beer aimed at its authentication

2014 · Alessandra Biancolillo, Remo Bucci, et al. · Analytica Chimica Acta · 236

The influence of data pre-processing in the pattern recognition of excipients near-infrared spectra

1999 · A. Candolfi, R. De Maesschalck, et al. · Journal of Pharmaceutical and Biomedical Analysis · 235

Current trends and recent advances on food authenticity technologies and chemometric approaches

2019 · Sonia Medina, Rosa Perestrelo, et al. · Trends in Food Science & Technology · 228

Development of a model for classification of toxin-induced lesions using1H NMR spectroscopy of urine combined with pattern recognition

1998 · E. Holmes, A. W. Nicholls, et al. · NMR in Biomedicine · 225

Detection of early bruises in apples using hyperspectral data and thermal imaging

2012 · Piotr Baranowski, Wojciech Mazurek, et al. · Journal of Food Engineering · 217

GC/MS based metabolomics: development of a data mining system for metabolite identification by using soft independent modeling of class analogy (SIMCA)

2011 · Hiroshi Tsugawa, Yuki Tsujimoto, et al. · BMC Bioinformatics · 216

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The classification of tea according to region of origin using pattern recognition techniques and trace metal data

2003 · Antonio Moreda-Piñeiro, Andrew Fisher, et al. · Journal of Food Composition and Analysis · 215

Concept and role of extreme objects in PCA/SIMCA

2013 · Alexey L. Pomerantsev, Oxana Ye Rodionova · Journal of Chemometrics · 205

Rapid Method for the Discrimination of Red Wine Cultivars Based on Mid-Infrared Spectroscopy of Phenolic Wine Extracts

2001 · Andrea Edelmann, Josef Diewok, et al. · Journal of Agricultural and Food Chemistry · 204

Rigorous and compliant approaches to one-class classification

2016 · Oxana Ye. Rodionova, Paolo Oliveri, et al. · Chemometrics and Intelligent Laboratory Systems · 200

Spline-Fitting with a Genetic Algorithm: A Method for Developing Classification Structure−Activity Relationships

2003 · Jeffrey J. Sutherland, Lee A. O'Brien, et al. · Journal of Chemical Information and Computer Sciences · 195

Classification and Quantification of Microplastics (<100 μm) Using a Focal Plane Array–Fourier Transform Infrared Imaging System and Machine Learning

2020 · Vitor H. da Silva, Fionn Murphy, et al. · Analytical Chemistry · 191

Application of chemometrics to 1H NMR spectroscopic data to investigate a relationship between human serum metabolic profiles and hypertension

2002 · Joanne T. Brindle, Jeremy K. Nicholson, et al. · The Analyst · 191

Principal component analysis of multivariate images

1989 · Paul Geladi, Hans Isaksson, et al. · Chemometrics and Intelligent Laboratory Systems · 189

Feasibility study of rock identification at the surface of Mars by remote laser-induced breakdown spectroscopy and three chemometric methods

2007 · Jean-Baptiste Sirven, Béatrice Sallé, et al. · Journal of Analytical Atomic Spectrometry · 186

Works count: 2,276

Citation count: 51,260