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Repeated double cross validation

Journal of chemometrics, 2009-04, Vol.23 (4), p.160-171

2009

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Statistical Modelling of Molecular Descriptors in QSAR/QSPR

2. Aufl., 2012

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[Special Issue for Honor Award dedicating to Prof Kimito Funatsu]Similarity, Diversity - Chemoinformatics

Journal of Computer Aided Chemistry, 2019, Vol.20, pp.29-31

Varmuza, Kurt

2019

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Carbon-rich dust in comet 67P/Churyumov-Gerasimenko measured by COSIMA/Rosetta

Monthly notices of the Royal Astronomical Society, 2017-07, Vol.469 (Suppl_2), p.S712-S722

2017

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Information indices with high discriminative power for graphs

PloS one, 2012-02, Vol.7 (2), p.e31214-e31214

2012

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Severe drought stress is affecting selected primary metabolites, polyphenols, and volatile metabolites in grapevine leaves (Vitis vinifera cv. Pinot noir)

Plant physiology and biochemistry, 2015-03, Vol.88, p.17-26

2015

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Nitrogen-to-carbon atomic ratio measured by COSIMA in the particles of comet 67P/Churyumov–Gerasimenko

Monthly notices of the Royal Astronomical Society, 2017-07, Vol.469 (Suppl_2), p.S506-S516

2017

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A large scale analysis of information-theoretic network complexity measures using chemical structures

PloS one, 2009-12, Vol.4 (12), p.e8057-e8057

2009

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Adjusted Pareto Scaling for Multivariate Calibration Models

Journal of chemometrics, 2024-08

2024

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The Orbit-Polynomial: A Novel Measure of Symmetry in Networks

IEEE access, 2020, Vol.8, p.36100-36112

2020

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Chemometrics in Practical Applications

Varmuza, Kurt

2012

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UV-Vis Spectroscopy and Chemometrics for the Monitoring of Organosolv Pretreatments

ChemEngineering, 2018-12, Vol.2 (4), p.45

2018

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Applicability of near-infrared spectroscopy for process monitoring in bioethanol production

Biochemical engineering journal, 2010-11, Vol.52 (2), p.187-193

2010

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Multivariate linear QSPR/QSAR models: Rigorous evaluation of variable selection for PLS

Computational and structural biotechnology journal, 2013, Vol.5 (6), p.e201302007-e201302007, Article e201302007

2013

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Determination of the total acid number (TAN) of used gas engine oils by IR and chemometrics applying a combined strategy for variable selection

Chemometrics and intelligent laboratory systems, 2010-03, Vol.101 (1), p.14-22

2010

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Evaluation of empirical chemometric models for calibration and classification

CICSJ Bulletin, 2012, Vol.30(2), pp.31-31

Varmuza, Kurt

2012

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Novel topological descriptors for analyzing biological networks

BMC structural biology, 2010-06, Vol.10 (1), p.18-18

2010

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A comparative analysis of the Tanimoto index and graph edit distance for measuring the topological similarity of trees

Applied mathematics and computation, 2015-05, Vol.259, p.242-250

2015

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Variable selection and its Strict Evaluation

CICSJ Bulletin, 2014, Vol.32(3), pp.65

2014

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David Livingstone: A practical guide to scientific data analysis

Analytical and bioanalytical chemistry, 2010-08, Vol.397 (7), p.2625-2626

Varmuza, Kurt

2010

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On Entropy-Based Molecular Descriptors: Statistical Analysis of Real and Synthetic Chemical Structures

Journal of Chemical Information and Modeling, 2009-07, Vol.49 (7), p.1655-1663

2009

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Modeling the oxygen 18 concentration in precipitation with ambient climatic and geographic parameters

Geophysical research letters, 2006-03, Vol.33 (5), p.L05808-n/a

2006

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Prediction of tensile strength in iron-contaminated archaeological wood by FT-IR spectroscopy – a study of degradation in recent oak and Vasa oak

Holzforschung, 2016-09, Vol.70 (9), p.855-865

2016

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Automorphism Groups of Alkane Graphs

Croatica Chemica Acta, 2021, Vol.94 (1), p.47

2021

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Sparse and robust PLS for binary classification

Journal of chemometrics, 2016-04, Vol.30 (4), p.153-162

2016

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Repeated double cross validation

Statistical Modelling of Molecular Descriptors in QSAR/QSPR

[Special Issue for Honor Award dedicating to Prof Kimito Funatsu]Similarity, Diversity - Chemoinformatics

Carbon-rich dust in comet 67P/Churyumov-Gerasimenko measured by COSIMA/Rosetta

Information indices with high discriminative power for graphs

Severe drought stress is affecting selected primary metabolites, polyphenols, and volatile metabolites in grapevine leaves (Vitis vinifera cv. Pinot noir)

Nitrogen-to-carbon atomic ratio measured by COSIMA in the particles of comet 67P/Churyumov–Gerasimenko

A large scale analysis of information-theoretic network complexity measures using chemical structures

Adjusted Pareto Scaling for Multivariate Calibration Models

The Orbit-Polynomial: A Novel Measure of Symmetry in Networks

Chemometrics in Practical Applications

UV-Vis Spectroscopy and Chemometrics for the Monitoring of Organosolv Pretreatments

Applicability of near-infrared spectroscopy for process monitoring in bioethanol production

Multivariate linear QSPR/QSAR models: Rigorous evaluation of variable selection for PLS

Determination of the total acid number (TAN) of used gas engine oils by IR and chemometrics applying a combined strategy for variable selection

Evaluation of empirical chemometric models for calibration and classification

Novel topological descriptors for analyzing biological networks

A comparative analysis of the Tanimoto index and graph edit distance for measuring the topological similarity of trees

Variable selection and its Strict Evaluation

David Livingstone: A practical guide to scientific data analysis

On Entropy-Based Molecular Descriptors: Statistical Analysis of Real and Synthetic Chemical Structures

Modeling the oxygen 18 concentration in precipitation with ambient climatic and geographic parameters

Prediction of tensile strength in iron-contaminated archaeological wood by FT-IR spectroscopy – a study of degradation in recent oak and Vasa oak

Automorphism Groups of Alkane Graphs

Sparse and robust PLS for binary classification

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