Items where Author is "Héberger, Károly"

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Rácz, Anita and Andric, Filip and Bajusz, Dávid and Héberger, Károly (2018) Binary similarity measures for fingerprint analysis of qualitative metabolomic profiles. METABOLOMICS, 14 (29). ISSN 1573-3882

Andric, Filip and Héberger, Károly (2017) How to compare separation selectivity of high-performance liquid chromatographic columns properly? JOURNAL OF CHROMATOGRAPHY A, 1488. pp. 45-56. ISSN 0021-9673

Gere, Attila and Sipos, László and Kovács, Sándor and Kókai, Zoltán and Héberger, Károly (2017) Which Just-About-Right feature should be changed if evaluations deviate? A case study using sum of ranking differences. CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 1 (1). pp. 1-8. ISSN 0169-7439

Rácz, Anita and Héberger, Károly and Fodor, Marietta (2016) Quantitative determination and classification of energy drinks using near-infrared spectroscopy. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 408 (23). pp. 6403-6411. ISSN 1618-2642

Rácz, Anita and Bajusz, Dávid and Fodor, Marietta and Héberger, Károly (2016) Comparison of classification methods with “n-class” receiver operating characteristic curves: A case study of energy drinks. CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 151. pp. 35-43. ISSN 0169-7439

Pavlovskii, Alexander A. and Héberger, Károly and Zenkevich, Igor G. (2016) Anomalous temperature dependence of gas chromatographic retention indices of polar compounds on non-polar stationary phases. JOURNAL OF CHROMATOGRAPHY A, 1445. pp. 126-134. ISSN 0021-9673

Andrić, Filip and Bajusz, Dávid and Rácz, Anita and Šegan, Sandra and Héberger, Károly (2016) Multivariate assessment of lipophilicity scales—computational and reversed phase thin-layer chromatographic indices. Journal of Pharmaceutical and Biomedical Analysis, 127. pp. 81-93. ISSN 0731-7085

Andric, Filip and Héberger, Károly (2015) Chromatographic and computational assessment of lipophilicity using sum of ranking differences and generalized pair-correlation. JOURNAL OF CHROMATOGRAPHY A, 1380. pp. 130-138. ISSN 0021-9673

Rácz, Anita and Papp, Nóra and Balogh, Emőke and Fodor, Marietta and Héberger, Károly (2015) Comparison of antioxidant capacity assays with chemometric methods. ANALYTICAL METHODS: ADVANCING METHODS AND APPLICATIONS, 7. pp. 4216-4224. ISSN 1759-9660

Rácz, Anita and Bajusz, Dávid and Héberger, Károly (2015) Consistency of QSAR models: Correct split of training and test sets, ranking of models and performance parameters. SAR AND QSAR IN ENVIRONMENTAL RESEARCH, 26 (7-9). pp. 683-700. ISSN 1062-936X

Gere, Attila and Sipos, László and Héberger, Károly (2015) Generalized Pairwise Correlation and method comparison: Impact assessment for JAR attributes on overall liking. FOOD QUALITY AND PREFERENCE, 43. pp. 88-96. ISSN 0950-3293

Rácz, Anita and Vass, Andrea and Héberger, Károly and Fodor, Marietta (2015) Quantitative determination of coenzyme Q10 from dietary supplements by FT-NIR spectroscopy and statistical analysis. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 407 (10). pp. 2887-2898. ISSN 1618-2642

Kalivas, J. H. and Héberger, Károly and Andries, E. (2015) Sum of ranking differences (SRD) to ensemble multivariate calibration model merits for tuning parameter selection and comparing calibration methods. ANALYTICA CHIMICA ACTA, 869. pp. 21-33. ISSN 0003-2670

Kaczorek, Ewa and Bielicka-Daszkiewicz, Katarzyna and Héberger, Károly and Kemeny, Sandor and Olszanowski, Andrzej (2014) Best conditions for biodegradation of diesel oil by chemometric tools. BRAZILIAN JOURNAL OF MICROBIOLOGY, 45 (1). pp. 117-126. ISSN 1517-8382

Christie, Olav H. J. and Rácz, Anita and Elek, János and Héberger, Károly (2014) Classification and unscrambling a class-inside-class situation by object target rotation : Hungarian silver coins of the Árpád Dynasty, 997 – 1301 AD. JOURNAL OF CHEMOMETRICS, 28 (4). pp. 287-292. ISSN 0886-9383, ESSN: 1099-128X

Héberger, Károly and Kolarević, S. and Kračun-Kolarević, M. and Sunjog, K. and Gačić, Z (2014) Evaluation of single-cell gel electrophoresis data: Combination of variance analysis with sum of ranking differences. MUTATION RESEARCH-GENETIC TOXICOLOGY AND ENVIRONMENTAL MUTAGENESIS, 771. pp. 15-22. ISSN 1383-5718

Okulus, Zuzanna and Héberger, Károly and Voelkel, Adam (2014) Sorption, solubility, and mass changes of hydroxyapatite-containing composites in artificial saliva, food simulating solutions, tea, and coffee. JOURNAL OF APPLIED POLYMER SCIENCE, 131 (3). p. 39856. ISSN 0021-8995

Kołodziejek, Joanna and Voelkel, Adam and Héberger, Károly (2013) Characterization of hybrid materials by means of inverse gas chromatography and chemometrics. Journal of Pharmaceutical Sciences, 102 (5). pp. 1524-1531. ISSN 0022-3549

Rácz, Anita and Héberger, Károly and Rajkó, Róbert and Elek, János (2013) Classification of Hungarian medieval silver coins using x-ray fluorescent spectroscopy and multivariate data analysis. Heritage Science, 1 (2). pp. 1-9. ISSN 2050-7445

Sunjog, K. and Kolarević, S. and Héberger, Károly and Gačić, Z. and Knežević-Vukčević, J. and Vuković-Gačić, B. and Lenhardt, M. (2013) Comparison of comet assay parameters for estimation of genotoxicity by sum of ranking differences. Analytical and Bioanalytical Chemistry, 405 (14). 4879-4885 . ISSN 1618-2642

Škrbić, Biljana and Héberger, Károly and Durišić-Mladenović, Nataša (2013) Comparison of multianalyte proficiency test results by sum of ranking differences, principal component analysis, and hierarchical cluster analysis. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 405 (25). pp. 8363-8375. ISSN 1618-2642

Tóth, Gergely and Bodai, Zsolt and Héberger, Károly (2013) Estimation of influential points in any data set from coefficient of determination and its leave-one-out cross-validated counterpart. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 27 (10). pp. 837-844. ISSN 0920-654X

Kollár-Hunek, Klára and Héberger, Károly (2013) Method and model comparison by sum of ranking differences in cases of repeated observations (ties). CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 127. pp. 139-146. ISSN 0169-7439

Bertinetto, Carlo and Duce, Celia and Solaro, Roberto and Héberger, Károly (2013) Modeling of the Acute Toxicity of Benzene Derivatives by Complementary QSAR Methods. MATCH-COMMUNICATIONS IN MATHEMATICAL AND IN COMPUTER CHEMISTRY, 70 (3). pp. 1005-1021. ISSN 0340-6253

Strzemiecka, B. and Héberger, Károly and Voelkel, Adam (2013) Similarity and grouping of perlite and zeolite abrasive fillers. A replacement test. Journal of Applied Polymer Science, 127 (5). pp. 3839-3847. ISSN 0021-8995

Héberger, Károly (2010) Sum of ranking differences compares methods or models fairly. TRAC-TRENDS IN ANALYTICAL CHEMISTRY, 29 (1). pp. 101-109. ISSN 0165-9936

Héberger, Károly (2007) Quantitative structure-(chromatographic) retention relationships. JOURNAL OF CHROMATOGRAPHY A, 1158 (1-2). pp. 273-305. ISSN 0021-9673

Jakab, Annamária and Sebőkné Nagy, Krisztina and Héberger, Károly and Vékey, Károly and Forgácsné Tóth, Eszter (2002) Differentiation of vegetable oils by mass spectrometry combined with statistical analysis. RAPID COMMUNICATIONS IN MASS SPECTROMETRY, 16. pp. 2291-2297. ISSN 0951-4198

Book Section

Bajusz, Dávid and Rácz, Anita and Héberger, Károly (2017) Fingerprints, and Other Molecular Descriptions for Database Analysis and Searching. In: Comprehensive Medicinal Chemistry. Elsevier, Amsterdam, pp. 329-378. ISBN 978-0-12-803200-8

Héberger, Károly and Rácz, Anita and Bajusz, Dávid (2017) Which Performance Parameters Are Best Suited to Assess the Predictive Ability of Models? In: Advances in QSAR Modeling. Challenges and Advances in Computational Chemistry and Physics (24). Springer International Publishing, Amsterdam, pp. 89-104. ISBN 978-3-319-56850-8

Héberger, Károly (2015) How to Determine the Adequateness of Multiple Linear Regression and QSAR Models? In: Current Applications in Chemometrics. Nova Science Publishers, New York, pp. 1-14.


Héberger, Károly and Stadler, Krisztián and Vanyúr, Rozália (2007) Kvantitatív szerkezet-hatás összefüggések keresése új kemometriai módszerekkel = Novel Chemometric Methods for Quantitative Structure-activity Relationships. Project Report. OTKA.

This list was generated on Sun May 20 13:31:04 2018 CEST.