Items where Author is "Héberger, Károly"

Article

Alonso-Salces, Rosa María and Viacava, Gabriela Elena and Tres, Alba and Vichi, Stefania and Valli, Enrico and Bendini, Alessandra and Gallina Toschi, Tullia and Gallo, Blanca and Berrueta, Luis Ángel and Héberger, Károly (2025) Stepwise strategy based on untargeted metabolomic 1H NMR fingerprinting and pattern recognition for the geographical authentication of virgin olive oils. FOOD CONTROL, 173. No.-111216. ISSN 0956-7135

López Pérez, Kenneth and Rácz, Anita and Bajusz, Dávid and Gonzalez, Camila and Héberger, Károly and Miranda‐Quintana, Ramón Alain (2024) Alternative weighting schemes for fine‐tuned extended similarity indices. JOURNAL OF CHEMOMETRICS, 38 (9). No.-e3558. ISSN 0886-9383

Sziklai, Balázs and Baranyi, Máté and Héberger, Károly (2024) Does cross-validation work in telling rankings apart? CENTRAL EUROPEAN JOURNAL OF OPERATIONS RESEARCH. ISSN 1435-246X (In Press)

Héberger, Károly (2023) Selection of optimal validation methods for quantitative structure–activity relationships and applicability domain. SAR AND QSAR IN ENVIRONMENTAL RESEARCH. ISSN 1062-936X (In Press)

Rácz, Anita and Dunn, Timothy B. and Bajusz, Dávid and Kim, Taewon D. and Miranda-Quintana, Ramón Alain and Héberger, Károly (2022) Extended continuous similarity indices: theory and application for QSAR descriptor selection. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 36 (3). pp. 157-173. ISSN 0920-654X

Rácz, Anita and Mihalovits, Levente Márk and Bajusz, Dávid and Héberger, Károly and Miranda-Quintana, Ramón Alain (2022) Molecular Dynamics Simulations and Diversity Selection by Extended Continuous Similarity Indices. JOURNAL OF CHEMICAL INFORMATION AND MODELING, 62 (14). pp. 3415-3425. ISSN 1549-9596

Gere, Attila and Szakál, Dorina and Héberger, Károly (2022) Multiobject Optimization of National Football League Drafts: Comparison of Teams and Experts. APPLIED SCIENCES. ISSN 2076-3417

Gere, Attila and Héberger, Károly and Kovács, Sándor (2021) How to predict choice using eye-movements data? FOOD RESEARCH INTERNATIONAL, 143. ISSN 0963-9969

Miranda‐Quintana, Ramón Alain and Bajusz, Dávid and Rácz, Anita and Héberger, Károly (2021) Differential Consistency Analysis: Which Similarity Measures can be Applied in Drug Discovery? MOLECULAR INFORMATICS, 40 (7). No.-2060017. ISSN 1868-1743

Rácz, Anita and Bajusz, Dávid and Héberger, Károly (2021) Effect of Dataset Size and Train/Test Split Ratios in QSAR/QSPR Multiclass Classification. MOLECULES, 26 (4). No.-1111. ISSN 1420-3049

Bajusz, Dávid and Miranda-Quintana, Ramón Alain and Rácz, Anita and Héberger, Károly (2021) Extended many-item similarity indices for sets of nucleotide and protein sequences. COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL, 19. pp. 3628-3639. ISSN 2001-0370

Miranda-Quintana, Ramón Alain and Bajusz, Dávid and Rácz, Anita and Héberger, Károly (2021) Extended similarity indices: the benefits of comparing more than two objects simultaneously. Part 1: Theory and characteristics. JOURNAL OF CHEMINFORMATICS, 13 (1). No.-32. ISSN 1758-2946

Miranda-Quintana, Ramón Alain and Rácz, Anita and Bajusz, Dávid and Héberger, Károly (2021) Extended similarity indices: the benefits of comparing more than two objects simultaneously. Part 2: speed, consistency, diversity selection. JOURNAL OF CHEMINFORMATICS, 13 (1). No.-33. ISSN 1758-2946

Rácz, Anita and Bajusz, Dávid and Miranda-Quintana, Ramón Alain and Héberger, Károly (2021) Machine learning models for classification tasks related to drug safety. MOLECULAR DIVERSITY, 25 (3). pp. 1409-1424. ISSN 1381-1991

Gere, Attila and Rácz, Anita and Bajusz, Dávid and Héberger, Károly (2021) Multicriteria decision making for evergreen problems in food science by sum of ranking differences. FOOD CHEMISTRY, 344. No.-128617. ISSN 0308-8146

Sziklai, Balázs R. and Héberger, Károly (2020) Apportionment and districting by Sum of Ranking Differences. PLOS ONE, 15 (3). pp. 1-20. ISSN 1932-6203

Zsigmond, Andreea R. and Kántor, Izolda and May, Zoltán and Urák, István and Héberger, Károly (2020) Elemental composition of Russula cyanoxantha along an urbanization gradient in Cluj-Napoca (Romania). CHEMOSPHERE, 238. pp. 1-34. ISSN 0045-6535

Héberger, Károly and Kollár-Hunek, Klára (2019) Comparison of validation variants by sum of ranking differences and ANOVA. JOURNAL OF CHEMOMETRICS. pp. 1-29. ISSN 0886-9383

Gere, Attila and Radványi, Dalma and Héberger, Károly (2019) Which insect species can best be proposed for human consumption? INNOVATIVE FOOD SCIENCE & EMERGING TECHNOLOGIES, 52. pp. 358-367. ISSN 1466-8564

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

Zsigmond, Andreea R. and Varga, Krisztina and Kántor, Izolda and Urák, István and May, Zoltán and Héberger, Károly (2018) Elemental composition of wild growing Agaricus campestris mushroom in urban and peri-urban regions of Transylvania (Romania). JOURNAL OF FOOD COMPOSITION AND ANALYSIS, 72. pp. 15-21. ISSN 0889-1575

Rácz, Anita and Bajusz, Dávid and Héberger, Károly (2018) Modeling methods and cross-validation variants in QSAR modeling: A multi-level analysis. SAR AND QSAR IN ENVIRONMENTAL RESEARCH. ISSN 1062-936X

Relić, Dubravka and Héberger, Károly and Sakan, Sanja and Škrbić, Biljana and Popović, Aleksandar (2018) Ranking and similarity of conventional, microwave and ultrasound element sequential extraction methods. CHEMOSPHERE, 198. pp. 103-110. ISSN 0045-6535

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

Héberger, Károly (1982) A Budapesti Műszaki Egyetem 200 éves. A MAGYAR TUDOMÁNYOS AKADÉMIA MŰSZAKI TUDOMÁNYOK OSZTÁLYÁNAK KÖZLEMÉNYEI, 62. pp. 397-439. ISSN 0027-5085

Book Section

Rácz, Anita and Bajusz, Dávid and Héberger, Károly (2018) Chemometrics in Analytical Chemistry. In: Applied Chemoinformatics: Achievements and Future Opportunities. Wiley-VCH Verlag GmbH & Co. KGaA, pp. 471-499. ISBN 9783527806539

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.

Monograph

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.

Book

R. Sziklai, Balázs and Héberger, Károly (2020) Apportionment and Districting by Sum of Ranking Differences = Választókörzetek kiosztása és kialakítása rangkülönbségek összegével. CERS-IE Working Papers = KRTK-KTI Műhelytanulmányok (CERS-IE WP – 2020/9) . Institute of Economics Centre for Economic and Regional Studies = Közgazdaság- és Regionális Tudományi Kutatóközpont, Budapest.