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QUIMIOMETRIA III – REVISITANDO A ANÁLISE EXPLORATÓRIA DOS DADOS MULTIVARIADOS

Química Nova, 2023-01, Vol.45 (10), p.1251-1264

Ferreira, Márcia

2023

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Exploring in vivo violacein biosynthesis by application of multivariate curve resolution on fused UV–VIS absorption, fluorescence, and liquid chromatography–mass spectrometry data

Analytical and bioanalytical chemistry, 2013-02, Vol.405 (4), p.1293-1302

2013

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Traditional herbal compounds as candidates to inhibit the SARS-CoV-2 main protease: an in silico study

Journal of biomolecular structure & dynamics, 2023-03, Vol.41 (5), p.1603-1616

2023

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Optimized bucketing for NMR spectra: Three case studies

Chemometrics and intelligent laboratory systems, 2013-03, Vol.122, p.93-102

2013

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Digital Filters for Molecular Interaction Field Descriptors

Molecular informatics, 2012-01, Vol.31 (1), p.75-84

2012

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Theoretical Study of Acid-Catalyzed Hydrolysis of Epoxides

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2010-04, Vol.114 (15), p.5187-5194

2010

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Multivariate QSAR study on the antimutagenic activity of flavonoids against 3-NFA on Salmonella typhimurium TA98

European journal of medicinal chemistry, 2010-10, Vol.45 (10), p.4562-4569

2010

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Eugenol derivatives with 1,2,3-triazole moieties: Oral treatment of cutaneous leishmaniasis and a quantitative structure-activity relationship model for their leishmanicidal activity

Experimental parasitology, 2022-07, Vol.238, p.108269-108269, Article 108269

2022

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Prediction of quality parameters of food residues using NIR spectroscopy and PLS models based on proximate analysis

Ciência e tecnologia de alimentos, 2020-04, Vol.40 (2), p.444-450

2020

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Theoretical study of omeprazole behavior: Racemization barrier and decomposition reaction

International journal of quantum chemistry, 2008, Vol.108 (6), p.1097-1106

2008

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Leishmanicidal activity and 4D quantitative structure–activity relationship and molecular docking studies of vanillin-containing 1,2,3-triazole derivatives

Future medicinal chemistry, 2024-01, Vol.16 (2), p.139-155

2024

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Control of ascorbic acid in fortified powdered soft drinks using near-infrared spectroscopy (NIRS) and multivariate analysis

Journal of food science and technology, 2020-04, Vol.57 (4), p.1233-1241

2020

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OTIMIZAÇÃO DO PROCESSO NÃO INVASIVO E NÃO DESTRUTIVO DE EXTRAÇÃO E ANÁLISE DE METABÓLITOS VOLÁTEIS DE MAMÃO PAPAIA POR SPME-GC-MS

Química Nova, 2020-09, Vol.43 (9), p.1240-1245

2020

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Synthesis, theoretical studies, and effect on the photosynthetic electron transport of trifluoromethyl arylamides

Pest management science, 2017-11, Vol.73 (11), p.2360-2371

2017

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Multivariate QSAR study of 4,5-dihydroxypyrimidine carboxamides as HIV-1 integrase inhibitors

European journal of medicinal chemistry, 2009-09, Vol.44 (9), p.3577-3583

2009

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Inibidores da HIV-integrase: potencial abordagem farmacológica para tratamento da AIDS

Química Nova, 2006-06, Vol.29 (3), p.555-562

2006

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Chemometric analysis applied in H HR-MAS NMR and FT-IR data for chemotaxonomic distinction of intact lichen samples

Analytica chimica acta, 2007-07, Vol.595 (1-2), p.3-8

2007

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Inibidores da HIV-integrase: potencial abordagem farmacológica para tratamento da AIDS

Química nova, 2006-06, Vol.29 (3), p.555-562

2006

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Omeprazole and analogue compounds: a QSAR study of activity against Helicobacter pylori using theoretical descriptors

Journal of chemometrics, 2002-08, Vol.16 (8-10), p.510-520

2002

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Prediction of quality parameters of food residues using NIR spectroscopy and PLS models based on proximate analysis

Ciência e tecnologia de alimentos, 2020-06, Vol.40 (2), p.444-450

2020

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Exploratory analysis of inorganic constitution contents in grape juices and soft drinks

Eclética química, 2018-05, Vol.27 (2)

2018

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Planilha de validação: uma nova ferramenta para estimar figuras de mérito na validação de métodos analíticos univariados

Química Nova, 2008, Vol.31 (1), p.164-171

2008

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Geographical discrimination of mineral waters from São Paulo state through exploratory analysis

Eclética química, 2018-05, Vol.27 (2)

2018

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Chemometric analysis applied in 1H HR-MAS NMR and FT-IR data for chemotaxonomic distinction of intact lichen samples

Analytica chimica acta, 2007-07, Vol.595 (1), p.3-8

2007

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QUIMIOMETRIA III – REVISITANDO A ANÁLISE EXPLORATÓRIA DOS DADOS MULTIVARIADOS

Exploring in vivo violacein biosynthesis by application of multivariate curve resolution on fused UV–VIS absorption, fluorescence, and liquid chromatography–mass spectrometry data

Traditional herbal compounds as candidates to inhibit the SARS-CoV-2 main protease: an in silico study

Optimized bucketing for NMR spectra: Three case studies

Digital Filters for Molecular Interaction Field Descriptors

Theoretical Study of Acid-Catalyzed Hydrolysis of Epoxides

Multivariate QSAR study on the antimutagenic activity of flavonoids against 3-NFA on Salmonella typhimurium TA98

Eugenol derivatives with 1,2,3-triazole moieties: Oral treatment of cutaneous leishmaniasis and a quantitative structure-activity relationship model for their leishmanicidal activity

Prediction of quality parameters of food residues using NIR spectroscopy and PLS models based on proximate analysis

Theoretical study of omeprazole behavior: Racemization barrier and decomposition reaction

Leishmanicidal activity and 4D quantitative structure–activity relationship and molecular docking studies of vanillin-containing 1,2,3-triazole derivatives

Control of ascorbic acid in fortified powdered soft drinks using near-infrared spectroscopy (NIRS) and multivariate analysis

OTIMIZAÇÃO DO PROCESSO NÃO INVASIVO E NÃO DESTRUTIVO DE EXTRAÇÃO E ANÁLISE DE METABÓLITOS VOLÁTEIS DE MAMÃO PAPAIA POR SPME-GC-MS

Synthesis, theoretical studies, and effect on the photosynthetic electron transport of trifluoromethyl arylamides

Multivariate QSAR study of 4,5-dihydroxypyrimidine carboxamides as HIV-1 integrase inhibitors

Inibidores da HIV-integrase: potencial abordagem farmacológica para tratamento da AIDS

Chemometric analysis applied in H HR-MAS NMR and FT-IR data for chemotaxonomic distinction of intact lichen samples

Inibidores da HIV-integrase: potencial abordagem farmacológica para tratamento da AIDS

Omeprazole and analogue compounds: a QSAR study of activity against Helicobacter pylori using theoretical descriptors

Prediction of quality parameters of food residues using NIR spectroscopy and PLS models based on proximate analysis

Exploratory analysis of inorganic constitution contents in grape juices and soft drinks

Planilha de validação: uma nova ferramenta para estimar figuras de mérito na validação de métodos analíticos univariados

Geographical discrimination of mineral waters from São Paulo state through exploratory analysis

Chemometric analysis applied in 1H HR-MAS NMR and FT-IR data for chemotaxonomic distinction of intact lichen samples

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