Károly Héberger

Publication Activity (10 Years)

Years Active: 2000-2024
Publications (10 Years): 7

Top Topics

Molecular Dynamics Simulations

Similarity Measure

Fingerprint Image Quality

Top Venues

J. Cheminformatics

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Publications

Károly Héberger
Frequent Errors in Modeling by Machine Learning: A Prototype Case of Predicting the Timely Evolution of COVID-19 Pandemic. Algorithms 17 (1) (2024)
Anita Rácz, Timothy B. Dunn, Dávid Bajusz, Taewon David Kim, Ramón Alain Miranda-Quintana, Károly Héberger
Extended continuous similarity indices: theory and application for QSAR descriptor selection. J. Comput. Aided Mol. Des. 36 (3) (2022)
Anita Rácz, Levente M. Mihalovits, Dávid Bajusz, Károly Héberger, Ramón Alain Miranda-Quintana
Molecular Dynamics Simulations and Diversity Selection by Extended Continuous Similarity Indices. J. Chem. Inf. Model. 62 (14) (2022)
Ramón Alain Miranda-Quintana, Dávid Bajusz, Anita Rácz, Károly Héberger
. J. Cheminformatics 13 (1) (2021)
Ramón Alain Miranda-Quintana, Anita Rácz, Dávid Bajusz, Károly Héberger
Extended similarity indices: the benefits of comparing more than two objects simultaneously. Part 2: speed, consistency, diversity selection. J. Cheminformatics 13 (1) (2021)
Anita Rácz, Dávid Bajusz, Károly Héberger
Life beyond the Tanimoto coefficient: similarity measures for interaction fingerprints. J. Cheminformatics 10 (1) (2018)
Dávid Bajusz, Anita Rácz, Károly Héberger
Why is Tanimoto index an appropriate choice for fingerprint-based similarity calculations? J. Cheminformatics 7 (2015)
Gergely Tóth, Zsolt Bodai, Károly Héberger
Estimation of influential points in any data set from coefficient of determination and its leave-one-out cross-validated counterpart. J. Comput. Aided Mol. Des. 27 (10) (2013)
Orsolya Farkas, Károly Héberger
Comparison of Ridge Regression, Partial Least-Squares, Pairwise Correlation, Forward- and Best Subset Selection Methods for Prediction of Retention Indices for Aliphatic Alcohols. J. Chem. Inf. Model. 45 (2) (2005)
Rozália Vanyúr, Károly Héberger, Judit Jakus
Prediction of Anti-HIV-1 Activity of a Series of Tetrapyrrole Molecules. J. Chem. Inf. Comput. Sci. 43 (6) (2003)
András Németh, Tamás Vidóczy, Károly Héberger, Zsolt Kúti, János Wágner
MECHGEN: Computer Aided Generation and Reduction of Reaction Mechanisms. J. Chem. Inf. Comput. Sci. 42 (2) (2002)
Rozália Vanyúr, Károly Héberger, István Kövesdi, Judit Jakus
Prediction of Photosensitizers Activity in Photodynamic Therapy Using Artificial Neural Networks: A 3D - QSAR Study. ANNIMAB (2000)