The FuzzyARTMAP algorithm is studied with respect to its usefulness for supervised chemical pattern recognition. The theory of this relatively complex artificial neural classifier is presented in detail for chemists. An instructive data set of moderate size, describing male and female participants in courses of chemometrics by their body measures, is used to demonstrate how FuzzyARTMAF’ works a...

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Maiara S. Santos*, Edenir R. Pereira-Filho e Antonio G. Ferreira Departamento de Química, Universidade Federal de São Carlos, CP 676, 13560-970 São Carlos – SP, Brasil Elisangela F. Boffo Instituto de Química, Universidade Federal da Bahia, 40170-115 Salvador – BA, Brasil Glyn M. Figueira Centro Pluridisciplinar de Pesquisas Químicas, Biológicas e Agrícolas, Universidade Estadual de Campinas, C...

To determine the purity of extracted fucoidan from brown seaweeds, analytical methods were developed, including spectroscopy (i.e., Attenuate total reflectance (ATR) - Fourier-transform infrared (FT-IR) and Raman) combined with chemometrics; results compared those high performance liquid chromatography (HPLC) other two chemistry estimation based on fucose content a cationic dye method sulphated...

The Geographical Origin of Chinese medicinal materials plays an important role in guaranteeing the authenticity materials, ensuring quality and efficacy maintaining market order, reducing risk medical accidents caused by counterfeit materials. In recent years, there have been more research papers on tracing stable isotope mineral element analysis combined with chemometrics. Using to trace tradi...

Boosting is a machine learning algorithm that is not well known in chemometrics. We apply boosting tree to the classification of mass spectral data. In the experiment, recognition of 15 chemical substructures from mass spectral data have been taken into account. The performance of boosting is very encouraging. Compared with previous result, boosting significantly improves the accuracy of classi...

Molecular Science and Biomedicine Laboratory, State Key Laboratory for Chemo/Biosensing and Chemometrics, College of Biology, College of Chemistry and Chemical Engineering, Aptamer Engineering Center of Hunan Province, Hunan University, Changsha, Hunan 410082, China School of Life Sciences, State Key Laboratory of Medical Genetics, Central South University, Changsha, Hunan 410078, China 3 T.D. ...