ChEMBL Beaker: A Lightweight Web Framework Providing Robust and Extensible Cheminformatics Services by Michał Nowotka, Mark Davies, George Papadatos, John P. Overington

Get full text

Outcomes of ethnic minority groups with node-positive, non-metastatic breast cancer in two tertiary referral centers in Sydney, Australia. by Stephanie H Lim, Geoff P Delaney, Joseph Descallar, Phan Sayaloune, George Papadatos, Paul de Souza

Get full text

Beyond the hype: deep neural networks outperform established methods using a ChEMBL bioactivity benchmark set by Eelke B. Lenselink, Niels ten Dijke, Brandon Bongers, George Papadatos, Herman W. T. van Vlijmen, Wojtek Kowalczyk, Adriaan P. IJzerman, Gerard J. P. van Westen

Get full text

Patterns of database citation in articles and patents indicate long-term scientific and industry value of biological data resources [version 1; referees: 2 approved] by David Bousfield, Johanna McEntyre, Sameer Velankar, George Papadatos, Alex Bateman, Guy Cochrane, Jee-Hyub Kim, Florian Graef, Vid Vartak, Blaise Alako, Niklas Blomberg

Get full text

Target prediction for an open access set of compounds active against Mycobacterium tuberculosis. by Francisco Martínez-Jiménez, George Papadatos, Lun Yang, Iain M Wallace, Vinod Kumar, Ursula Pieper, Andrej Sali, James R Brown, John P Overington, Marc A Marti-Renom

Get full text

Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach by Grace Mugumbate, Grace Mugumbate, Vitor Mendes, Michal Blaszczyk, Mohamad Sabbah, George Papadatos, Joel Lelievre, Lluis Ballell, David Barros, Chris Abell, Tom L. Blundell, John P. Overington, John P. Overington

Get full text

Mycobacterial dihydrofolate reductase inhibitors identified using chemogenomic methods and in vitro validation. by Grace Mugumbate, Katherine A Abrahams, Jonathan A G Cox, George Papadatos, Gerard van Westen, Joël Lelièvre, Szymon T Calus, Nicholas J Loman, Lluis Ballell, David Barros, John P Overington, Gurdyal S Besra

Get full text

Release of 50 new, drug-like compounds and their computational target predictions for open source anti-tubercular drug discovery. by María Jose Rebollo-Lopez, Joël Lelièvre, Daniel Alvarez-Gomez, Julia Castro-Pichel, Francisco Martínez-Jiménez, George Papadatos, Vinod Kumar, Gonzalo Colmenarejo, Grace Mugumbate, Mark Hurle, Vanessa Barroso, Rob J Young, María Martinez-Hoyos, Rubén González del Río, Robert H Bates, Eva Maria Lopez-Roman, Alfonso Mendoza-Losana, James R Brown, Emilio Alvarez-Ruiz, Marc A Marti-Renom, John P Overington, Nicholas Cammack, Lluís Ballell, David Barros-Aguire

Get full text

Open Source Drug Discovery: Highly Potent Antimalarial Compounds Derived from the Tres Cantos Arylpyrroles by Alice E. Williamson, Paul M. Ylioja, Murray N. Robertson, Yevgeniya Antonova-Koch, Vicky Avery, Jonathan B. Baell, Harikrishna Batchu, Sanjay Batra, Jeremy N. Burrows, Soumya Bhattacharyya, Felix Calderon, Susan A. Charman, Julie Clark, Benigno Crespo, Matin Dean, Stefan L. Debbert, Michael Delves, Adelaide S. M. Dennis, Frederik Deroose, Sandra Duffy, Sabine Fletcher, Guri Giaever, Irene Hallyburton, Francisco-Javier Gamo, Marinella Gebbia, R. Kiplin Guy, Zoe Hungerford, Kiaran Kirk, Maria J. Lafuente-Monasterio, Anna Lee, Stephan Meister, Corey Nislow, John P. Overington, George Papadatos, Luc Patiny, James Pham, Stuart A. Ralph, Andrea Ruecker, Eileen Ryan, Christopher Southan, Kumkum Srivastava, Chris Swain, Matthew J. Tarnowski, Patrick Thomson, Peter Turner, Iain M. Wallace, Timothy N. C. Wells, Karen White, Laura White, Paul Willis, Elizabeth A. Winzeler, Sergio Wittlin, Matthew H. Todd

Get full text