Barbara Zdrazil

Publication Activity (10 Years)

Years Active: 2005-2024
Publications (10 Years): 15

Top Topics

Owl Dl Ontologies

Molecular Interactions

Machine Learning

Classification Models

Top Venues

J. Cheminformatics

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Nucleic Acids Res.

Publications

Barbara Zdrazil, Rajarshi Guha, Karina Martínez-Mayorga, Nina Jeliazkova
Are new ideas harder to find? A note on incremental research and Journal of Cheminformatics' Scientific Contribution Statement. J. Cheminformatics 16 (1) (2024)
Matthew Thakur, Alex Bateman, Cath Brooksbank, Mallory Ann Freeberg, Melissa Harrison, Matthew Hartley, Thomas M. Keane, Gerard J. Kleywegt, Andrew Leach, Maria Levchenko, Sarah L. Morgan, Ellen M. McDonagh, Sandra E. Orchard, Irene Papatheodorou, Sameer Velankar, Juan Antonio Vizcaíno, Rick Witham, Barbara Zdrazil, Johanna R. McEntyre
EMBL's European Bioinformatics Institute (EMBL-EBI) in 2022. Nucleic Acids Res. 51 (D1) (2023)
Charles Tapley Hoyt, Barbara Zdrazil, Rajarshi Guha, Nina Jeliazkova, Karina Martínez-Mayorga, Eva Nittinger
Improving reproducibility and reusability in the Journal of Cheminformatics. J. Cheminformatics 15 (1) (2023)
Karla Gonzalez-Ponce, Carolina Horta Andrade, Fiona Hunter, Johannes Kirchmair, Karina Martínez-Mayorga, José L. Medina-Franco, Matthias Rarey, Alexander Tropsha, Alexandre Varnek, Barbara Zdrazil
School of cheminformatics in Latin America. J. Cheminformatics 15 (1) (2023)
Eva Nittinger, Alex Clark, Anna Gaulton, Barbara Zdrazil
Biomedical data analyses facilitated by open cheminformatics workflows. J. Cheminformatics 15 (1) (2023)
Rajarshi Guha, Barbara Zdrazil, Nina Jeliazkova, Karina Martínez-Mayorga
A look back at a pilot of the citation typing ontology. J. Cheminformatics 15 (1) (2023)
Barbara Zdrazil, Rajarshi Guha
Diversifying cheminformatics. J. Cheminformatics 14 (1) (2022)
Alzbeta Türková, Brandon J. Bongers, Ulf Norinder, Orsolya Ungvári, Virág Székely, Andrey Tarnovskiy, Gergely Szakács, Csilla Özvegy-Laczka, Gerard J. P. van Westen, Barbara Zdrazil
Identifying Novel Inhibitors for Hepatic Organic Anion Transporting Polypeptides by Machine Learning-Based Virtual Screening. J. Chem. Inf. Model. 62 (24) (2022)
Alzbeta Türková, Orsolya Ungvári, Réka Laczkó-Rigó, Erzsébet Mernyák, Gergely Szakács, Csilla Özvegy-Laczka, Barbara Zdrazil
Data-Driven Ensemble Docking to Map Molecular Interactions of Steroid Analogs with Hepatic Organic Anion Transporting Polypeptides. J. Chem. Inf. Model. 61 (6) (2021)
Rajarshi Guha, Egon L. Willighagen, Barbara Zdrazil, Nina Jeliazkova
What is the role of cheminformatics in a pandemic? J. Cheminformatics 13 (1) (2021)
Rajarshi Guha, Nina Jeliazkova, Egon L. Willighagen, Barbara Zdrazil
Reply to "FAIR chemical structure in the Journal of Cheminformatics". J. Cheminformatics 13 (1) (2021)
Alzbeta Türková, Barbara Zdrazil
A ligand-based computational drug repurposing pipeline using KNIME and Programmatic Data Access: case studies for rare diseases and COVID-19. J. Cheminformatics 12 (1) (2020)
Alzbeta Türková, Sankalp Jain, Barbara Zdrazil
Integrative Data Mining, Scaffold Analysis, and Sequential Binary Classification Models for Exploring Ligand Profiles of Hepatic Organic Anion Transporting Polypeptides. J. Chem. Inf. Model. 59 (5) (2019)
Daria Goldmann, Barbara Zdrazil, Daniela Digles, Gerhard F. Ecker
Empowering pharmacoinformatics by linked life science data. J. Comput. Aided Mol. Des. 31 (3) (2017)
Floriane Montanari, Barbara Zdrazil, Daniela Digles, Gerhard F. Ecker
Selectivity profiling of BCRP versus P-gp inhibition: from automated collection of polypharmacology data to multi-label learning. J. Cheminformatics 8 (1) (2016)
Barbara Zdrazil, Andreas Jurik, Harald H. Sitte, Gerhard F. Ecker
Pairwise structural comparison of tiagabine analogs gives new insights into their protein binding modes. J. Cheminformatics 5 (S-1) (2013)
Barbara Zdrazil, Andreas Jurik, Regina Reicherstorfer, Thomas Stockner, Harald H. Sitte, Gerhard F. Ecker
Insights into binding events of GABA- and Tiagabine- analogues in the Gamma-Aminobutyric Acid Transporter 1 by means of Molecular Modelling. J. Cheminformatics 4 (S-1) (2012)
Dominik Kaiser, Barbara Zdrazil, Gerhard F. Ecker
Similarity-based descriptors (SIBAR) - A tool for safe exchange of chemical information? J. Comput. Aided Mol. Des. 19 (9-10) (2005)