Search

Categories

Biological and Medicinal Chemistry

(4)

Chemical Education

(1)

Theoretical and Computational Chemistry

(3)

Content Types

Working Paper

(5)

Published Date

Over 3 years

(1)

Last 3 years

(4)

Last 12 months

(3)

Last 6 months

(1)

Keywords

Authors

Barbara Zdrazil

5 results in Authors: Barbara Zdrazil

Chemical Education

An Integrative Drug Repurposing Pipeline Using KNIME and Programmatic Data Access: A Case Study on COVID-19 Data

Alzbeta Tuerkova, Barbara Zdrazil

Version 1 posted 22 July 2020

934

Downloads

Biological and Medicinal Chemistry

Excuse me, there is a mutant in my bioactivity soup! A comprehensive analysis of the genetic variability landscape of bioactivity databases and its effect on activity modelling

Marina Gorostiola González, Olivier J. M. Béquignon, Emma Manners, Anna Gaulton, Prudence Mutowo, Elisabeth Dawson, Barbara Zdrazil, Andrew R. Leach, Adriaan P. IJzerman, Laura H. Heitman, Gerard J. P. van Westen

Version 1 posted 24 June 2024

228

Downloads

Biological and Medicinal Chemistry

Occurrence of ‘Natural Selection’ in Successful Small Molecule Drug Discovery

Lina Heinzke, Axel Pahl, Barbara Zdrazil, Andrew Leach, Herbert Waldmann, Robert Young, Paul Leeson

Version 1 posted 25 March 2024

433

Downloads

Theoretical and Computational Chemistry

A compound-target pairs dataset: differences between drugs, clinical candidates and other bioactive compounds

A. Lina Heinzke, Barbara Zdrazil, Paul D. Leeson, Robert J. Young, Axel Pahl, Herbert Waldmann, Andrew R. Leach

Version 2 posted 11 March 2024

605

Downloads

1

Citations

Theoretical and Computational Chemistry

Identifying Novel Inhibitors for Hepatic Organic Ani-on Transporting Polypeptides by Machine-learning based Virtual Screening

Alzbeta Tuerkova, Brandon Bongers, Ulf Norinder, Orsolya Ungvári, Virag Szekely, Andrey Tarnovskiy, Gergely Szakács, Csilla Özvegy-Laczka, Gerard J. P. van Westen, Barbara Zdrazil

Version 1 posted 07 December 2021

418

Downloads

1

Citations