Barbara Zdrazil

22 papers Journal 22

Year	Rank	Type	Title / Venue / Authors
2026	J	`jnl`	Correction: Integrating artificial intelligence and manual curation to enhance bioassay annotations in ChEMBL. J. Cheminformatics Ines Smit, Melissa F. Adasme, Emma J. Manners, Sybilla Corbett, Nicolas Bosc, Hoang-My-Anh Do, Andrew R. Leach, Noel M. O'Boyle, Barbara Zdrazil
2026	J	`jnl`	Integrating artificial intelligence and manual curation to enhance bioassay annotations in ChEMBL. J. Cheminformatics Ines Smit, Melissa F. Adasme, Emma J. Manners, Sybilla Corbett, Nicolas Bosc, Hoang-My-Anh Do, Andrew R. Leach, Noel M. O'Boyle, Barbara Zdrazil
2026	J	`jnl`	Integrating artificial intelligence and manual curation to enhance bioassay annotations in ChEMBL. J. Cheminformatics Ines Smit, Melissa F. Adasme, Emma J. Manners, Sybilla Corbett, Nicolas Bosc, Hoang-My-Anh Do, Andrew R. Leach, Noel M. O'Boyle, Barbara Zdrazil
2025	J	`jnl`	Fifteen years of ChEMBL and its role in cheminformatics and drug discovery. J. Cheminformatics Barbara Zdrazil
2024	J	`jnl`	Are new ideas harder to find? A note on incremental research and Journal of Cheminformatics' Scientific Contribution Statement. J. Cheminformatics Barbara Zdrazil, Rajarshi Guha, Karina Martínez-Mayorga, Nina Jeliazkova
2023	J	`jnl`	A look back at a pilot of the citation typing ontology. J. Cheminformatics Rajarshi Guha, Barbara Zdrazil, Nina Jeliazkova, Karina Martínez-Mayorga
2023	J	`jnl`	Biomedical data analyses facilitated by open cheminformatics workflows. J. Cheminformatics Eva Nittinger, Alex Clark, Anna Gaulton, Barbara Zdrazil
2023	J	`jnl`	EMBL's European Bioinformatics Institute (EMBL-EBI) in 2022. Nucleic Acids Res. 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
2023	J	`jnl`	Improving reproducibility and reusability in the Journal of Cheminformatics. J. Cheminformatics Charles Tapley Hoyt, Barbara Zdrazil, Rajarshi Guha, Nina Jeliazkova, Karina Martínez-Mayorga, Eva Nittinger
2023	J	`jnl`	School of cheminformatics in Latin America. J. Cheminformatics Karla Gonzalez-Ponce, Carolina Horta Andrade, Fiona M. I. Hunter, Johannes Kirchmair, Karina Martínez-Mayorga, José L. Medina-Franco, Matthias Rarey, Alexander Tropsha, Alexandre Varnek, Barbara Zdrazil
2022	J	`jnl`	Diversifying cheminformatics. J. Cheminformatics Barbara Zdrazil, Rajarshi Guha
2022	J	`jnl`	Identifying Novel Inhibitors for Hepatic Organic Anion Transporting Polypeptides by Machine Learning-Based Virtual Screening. J. Chem. Inf. Model. 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
2021	J	`jnl`	Data-Driven Ensemble Docking to Map Molecular Interactions of Steroid Analogs with Hepatic Organic Anion Transporting Polypeptides. J. Chem. Inf. Model. Alzbeta Türková, Orsolya Ungvári, Réka Laczkó-Rigó, Erzsébet Mernyák, Gergely Szakács, Csilla Özvegy-Laczka, Barbara Zdrazil
2021	J	`jnl`	Reply to "FAIR chemical structure in the Journal of Cheminformatics". J. Cheminformatics Rajarshi Guha, Nina Jeliazkova, Egon L. Willighagen, Barbara Zdrazil
2021	J	`jnl`	What is the role of cheminformatics in a pandemic? J. Cheminformatics Rajarshi Guha, Egon L. Willighagen, Barbara Zdrazil, Nina Jeliazkova
2020	J	`jnl`	A ligand-based computational drug repurposing pipeline using KNIME and Programmatic Data Access: case studies for rare diseases and COVID-19. J. Cheminformatics Alzbeta Türková, Barbara Zdrazil
2019	J	`jnl`	Integrative Data Mining, Scaffold Analysis, and Sequential Binary Classification Models for Exploring Ligand Profiles of Hepatic Organic Anion Transporting Polypeptides. J. Chem. Inf. Model. Alzbeta Türková, Sankalp Jain, Barbara Zdrazil
2017	J	`jnl`	Empowering pharmacoinformatics by linked life science data. J. Comput. Aided Mol. Des. Daria Goldmann, Barbara Zdrazil, Daniela Digles, Gerhard F. Ecker
2016	J	`jnl`	Selectivity profiling of BCRP versus P-gp inhibition: from automated collection of polypharmacology data to multi-label learning. J. Cheminformatics Floriane Montanari, Barbara Zdrazil, Daniela Digles, Gerhard F. Ecker
2013	J	`jnl`	Pairwise structural comparison of tiagabine analogs gives new insights into their protein binding modes. J. Cheminformatics Barbara Zdrazil, Andreas Jurik, Harald H. Sitte, Gerhard F. Ecker
2012	J	`jnl`	Insights into binding events of GABA- and Tiagabine- analogues in the Gamma-Aminobutyric Acid Transporter 1 by means of Molecular Modelling. J. Cheminformatics Barbara Zdrazil, Andreas Jurik, Regina Reicherstorfer, Thomas Stockner, Harald H. Sitte, Gerhard F. Ecker
2005	J	`jnl`	Similarity-based descriptors (SIBAR) - A tool for safe exchange of chemical information? J. Comput. Aided Mol. Des. Dominik Kaiser, Barbara Zdrazil, Gerhard F. Ecker