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Sorting variables by using informative vectors as a strategy for feature selection in multivariate regression

Journal of chemometrics, 2009-01, Vol.23 (1), p.32-48

2009

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Nondestructive Determination of Solids and Carotenoids in Tomato Products by Near-Infrared Spectroscopy and Multivariate Calibration

Analytical chemistry (Washington), 2005-04, Vol.77 (8), p.2505-2511

2005

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Four-Dimensional Structure–Activity Relationship Model to Predict HIV-1 Integrase Strand Transfer Inhibition using LQTA-QSAR Methodology

Journal of chemical information and modeling, 2012-07, Vol.52 (7), p.1722-1732

2012

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Is your QSAR/QSPR descriptor real or trash?

Journal of chemometrics, 2010-11, Vol.24 (11-12), p.681-693

2010

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LQTA-QSAR: A New 4D-QSAR Methodology

Journal of Chemical Information and Modeling, 2009-06, Vol.49 (6), p.1428-1436

2009

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The IV Winter School on Chemometrics

Journal of chemometrics, 2020-12, Vol.34 (12), p.n/a

Ferreira, Márcia M. C.

2020

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Simultaneously calibrating solids, sugars and acidity of tomato products using PLS2 and NIR spectroscopy

Analytica chimica acta, 2007-07, Vol.595 (1), p.221-227

2007

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Optimisation of pectin acid extraction from passion fruit peel (Passiflora edulis flavicarpa) using response surface methodology

International journal of food science & technology, 2009-03, Vol.44 (3), p.476-483

2009

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Study of Brazilian Gasoline Quality Using Hydrogen Nuclear Magnetic Resonance (1H NMR) Spectroscopy and Chemometrics

Energy & fuels, 2009-01, Vol.23 (1), p.272-279

2009

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The influence of R and S configurations of a series of amphetamine derivatives on quantitative structure–activity relationship models

Analytica chimica acta, 2013-01, Vol.759, p.43-52

2013

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Multitrophic interactions in the rhizosphere microbiome of wheat: from bacteria and fungi to protists

FEMS microbiology ecology, 2020-04, Vol.96 (4), p.1

2020

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Synthesis of vanillin derivatives with 1,2,3‐triazole fragments and evaluation of their fungicide and fungistatic activities

Archiv der Pharmazie (Weinheim), 2023-06, Vol.356 (6), p.e2200653-n/a

2023

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The receptor-dependent LQTA-QSAR: application to a set of trypanothione reductase inhibitors

Journal of computer-aided molecular design, 2012-09, Vol.26 (9), p.1055-1065

2012

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Four‐dimensional quantitative structure‐activity analysis of 1,4‐naphthoquinone derivatives tested against HL‐60 human promyelocytic leukemia cells

Journal of chemometrics, 2020-02, Vol.34 (2), p.n/a

2020

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Computational performance and cross-validation error precision of five PLS algorithms using designed and real data sets

Journal of chemometrics, 2010-06, Vol.24 (6), p.320-332

2010

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Leishmanicidal and cytotoxic activities and 4D‐QSAR of 2‐arylidene indan‐1,3‐diones

Archiv der Pharmazie (Weinheim), 2021-10, Vol.354 (10), p.e2100081-n/a

2021

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Multivariate accelerated shelf-life testing: a novel approach for determining the shelf-life of foods

Journal of chemometrics, 2006-01, Vol.20 (1-2), p.76-83

2006

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Optimization of extraction of high-ester pectin from passion fruit peel ( Passiflora edulis flavicarpa) with citric acid by using response surface methodology

Bioresource technology, 2008-09, Vol.99 (13), p.5561-5566

2008

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Theoretical Study of Radical and Neutral Intermediates of Artemisinin Decomposition

Journal of chemical information and modeling, 2008-01, Vol.48 (1), p.85-98

2008

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The past, present, and future of chemometrics worldwide: some etymological, linguistic, and bibliometric investigations

Journal of chemometrics, 2006-06, Vol.20 (6-7), p.247-272

2006

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Basic validation procedures for regression models in QSAR and QSPR studies: theory and application

Journal of the Brazilian Chemical Society, 2009, Vol.20 (4), p.770-787

2009

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Conformational Study of (8α,8‘β)-Bis(substituted phenyl)-lignano-9,9‘-lactones by Means of Combined Computational, Database Mining, NMR, and Chemometric Approaches

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2007-07, Vol.111 (28), p.6316-6333

2007

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A study of physicochemical and biopharmaceutical properties of Amoxicillin tablets using full factorial design and PCA biplot

Analytica chimica acta, 2007-07, Vol.595 (1), p.216-220

2007

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The use of ANOVA-PCA and DD-SIMCA in the development of corn flour laboratory reference materials

Food chemistry, 2022-01, Vol.367, p.130748-130748, Article 130748

2022

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Identification of components of Brazilian honey by 1H NMR and classification of its botanical origin by chemometric methods

Food science & technology, 2012-11, Vol.49 (1), p.55-63

2012

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Sorting variables by using informative vectors as a strategy for feature selection in multivariate regression

Nondestructive Determination of Solids and Carotenoids in Tomato Products by Near-Infrared Spectroscopy and Multivariate Calibration

Four-Dimensional Structure–Activity Relationship Model to Predict HIV-1 Integrase Strand Transfer Inhibition using LQTA-QSAR Methodology

Is your QSAR/QSPR descriptor real or trash?

LQTA-QSAR: A New 4D-QSAR Methodology

The IV Winter School on Chemometrics

Simultaneously calibrating solids, sugars and acidity of tomato products using PLS2 and NIR spectroscopy

Optimisation of pectin acid extraction from passion fruit peel (Passiflora edulis flavicarpa) using response surface methodology

Study of Brazilian Gasoline Quality Using Hydrogen Nuclear Magnetic Resonance (1H NMR) Spectroscopy and Chemometrics

The influence of R and S configurations of a series of amphetamine derivatives on quantitative structure–activity relationship models

Multitrophic interactions in the rhizosphere microbiome of wheat: from bacteria and fungi to protists

Synthesis of vanillin derivatives with 1,2,3‐triazole fragments and evaluation of their fungicide and fungistatic activities

The receptor-dependent LQTA-QSAR: application to a set of trypanothione reductase inhibitors

Four‐dimensional quantitative structure‐activity analysis of 1,4‐naphthoquinone derivatives tested against HL‐60 human promyelocytic leukemia cells

Computational performance and cross-validation error precision of five PLS algorithms using designed and real data sets

Leishmanicidal and cytotoxic activities and 4D‐QSAR of 2‐arylidene indan‐1,3‐diones

Multivariate accelerated shelf-life testing: a novel approach for determining the shelf-life of foods

Optimization of extraction of high-ester pectin from passion fruit peel ( Passiflora edulis flavicarpa) with citric acid by using response surface methodology

Theoretical Study of Radical and Neutral Intermediates of Artemisinin Decomposition

The past, present, and future of chemometrics worldwide: some etymological, linguistic, and bibliometric investigations

Basic validation procedures for regression models in QSAR and QSPR studies: theory and application

Conformational Study of (8α,8‘β)-Bis(substituted phenyl)-lignano-9,9‘-lactones by Means of Combined Computational, Database Mining, NMR, and Chemometric Approaches

A study of physicochemical and biopharmaceutical properties of Amoxicillin tablets using full factorial design and PCA biplot

The use of ANOVA-PCA and DD-SIMCA in the development of corn flour laboratory reference materials

Identification of components of Brazilian honey by 1H NMR and classification of its botanical origin by chemometric methods

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