Why is Tanimoto index an appropriate choice for fingerprint-based similarity calculations? D Bajusz, A Rácz, K Héberger Journal of cheminformatics 7, 1-13, 2015 | 1308 | 2015 |
Supervised pattern recognition in food analysis LA Berrueta, RM Alonso-Salces, K Héberger Journal of chromatography A 1158 (1-2), 196-214, 2007 | 1147 | 2007 |
Quantitative structure–(chromatographic) retention relationships K Héberger Journal of chromatography A 1158 (1-2), 273-305, 2007 | 492 | 2007 |
Sum of ranking differences compares methods or models fairly K Héberger TrAC Trends in Analytical Chemistry 29 (1), 101-109, 2010 | 297 | 2010 |
Metabolomics applied to exhaled breath condensate in childhood asthma S Carraro, S Rezzi, F Reniero, K Héberger, G Giordano, S Zanconato, ... American Journal of Respiratory and Critical Care Medicine 175 (10), 986-990, 2007 | 297 | 2007 |
Botanical and geographical characterization of green coffee (Coffea arabica and Coffea canephora): chemometric evaluation of phenolic and methylxanthine contents RM Alonso-Salces, F Serra, F Reniero, K Heberger Journal of agricultural and food chemistry 57 (10), 4224-4235, 2009 | 281 | 2009 |
Effect of dataset size and train/test split ratios in QSAR/QSPR multiclass classification A Rácz, D Bajusz, K Héberger Molecules 26 (4), 1111, 2021 | 247 | 2021 |
Sum of ranking differences for method discrimination and its validation: comparison of ranks with random numbers K Héberger, K Kollár‐Hunek Journal of Chemometrics 25 (4), 151-158, 2011 | 230 | 2011 |
Quantitative structure–antioxidant activity relationships of flavonoid compounds O Farkas, J Jakus, K Héberger Molecules 9 (12), 1079-1088, 2004 | 221 | 2004 |
Classification of olive oils using high throughput flow 1H NMR fingerprinting with principal component analysis, linear discriminant analysis and probabilistic neural networks S Rezzi, DE Axelson, K Héberger, F Reniero, C Mariani, C Guillou Analytica Chimica Acta 552 (1-2), 13-24, 2005 | 202 | 2005 |
Multivariate analysis of NMR fingerprint of the unsaponifiable fraction of virgin olive oils for authentication purposes RM Alonso-Salces, K Héberger, MV Holland, JM Moreno-Rojas, ... Food Chemistry 118 (4), 956-965, 2010 | 174 | 2010 |
Aqueous salting-out effect of inorganic cations and anions on non-electrolytes M Görgényi, J Dewulf, H Van Langenhove, K Héberger Chemosphere 65 (5), 802-810, 2006 | 168 | 2006 |
Comparative analysis of different plant oils by high-performance liquid chromatography–atmospheric pressure chemical ionization mass spectrometry A Jakab, K Héberger, E Forgács Journal of Chromatography A 976 (1-2), 255-263, 2002 | 163 | 2002 |
Method and model comparison by sum of ranking differences in cases of repeated observations (ties) K Kollár-Hunek, K Héberger Chemometrics and Intelligent Laboratory Systems 127, 139-146, 2013 | 150 | 2013 |
Principal component and linear discriminant analyses of free amino acids and biogenic amines in Hungarian wines K Héberger, E Csomós, L Simon-Sarkadi Journal of agricultural and food chemistry 51 (27), 8055-8060, 2003 | 147 | 2003 |
Consistency of QSAR models: Correct split of training and test sets, ranking of models and performance parameters A Rácz, D Bajusz, K Héberger SAR and QSAR in Environmental Research 26 (7-9), 683-700, 2015 | 113 | 2015 |
Multi-level comparison of machine learning classifiers and their performance metrics A Rácz, D Bajusz, K Héberger Molecules 24 (15), 2811, 2019 | 110 | 2019 |
Assessment of Nucleophilicity and Electrophilicity of Radicals, and of Polar and Enthalpy Effects on Radical Addition Reactions1 K Héberger, A Lopata The Journal of Organic Chemistry 63 (24), 8646-8653, 1998 | 110 | 1998 |
Virgin Olive Oil Authentication by Multivariate Analyses of 1H NMR Fingerprints and δ13C and δ2H Data RM Alonso-Salces, JM Moreno-Rojas, MV Holland, F Reniero, C Guillou, ... Journal of agricultural and food chemistry 58 (9), 5586-5596, 2010 | 109 | 2010 |
Prediction of ozone concentration in ambient air using multivariate methods A Lengyel, K Héberger, L Paksy, O Bánhidi, R Rajkó Chemosphere 57 (8), 889-896, 2004 | 108 | 2004 |