Large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery

by Nicolas Bosc, Francis Atkinson, Eloy Felix, Anna Gaulton, Anne Hersey, Andrew R. Leach
Published 2019-01-01

Reply to “Missed opportunities in large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery”

by Nicolas Bosc, Francis Atkinson, Eloy Félix, Anna Gaulton, Anne Hersey, Andrew R. Leach
Published 2019-11-01

Illuminating the druggable genome through patent bioactivity data

by Maria P. Magariños, Anna Gaulton, Eloy Félix, Tevfik Kiziloren, Ricardo Arcila, Tudor I. Oprea, Andrew R. Leach
Published 2023-05-01

Influence of HLA Class II Polymorphism on Predicted Cellular Immunity Against SARS-CoV-2 at the Population and Individual Level

by Hannah C. Copley, Hannah C. Copley, Loren Gragert, Loren Gragert, Andrew R. Leach, Vasilis Kosmoliaptsis, Vasilis Kosmoliaptsis, Vasilis Kosmoliaptsis
Published 2021-07-01

An open source chemical structure curation pipeline using RDKit

by A. Patrícia Bento, Anne Hersey, Eloy Félix, Greg Landrum, Anna Gaulton, Francis Atkinson, Louisa J. Bellis, Marleen De Veij, Andrew R. Leach
Published 2020-09-01

MAIP: a web service for predicting blood‐stage malaria inhibitors

by Nicolas Bosc, Eloy Felix, Ricardo Arcila, David Mendez, Martin R. Saunders, Darren V. S. Green, Jason Ochoada, Anang A. Shelat, Eric J. Martin, Preeti Iyer, Ola Engkvist, Andreas Verras, James Duffy, Jeremy Burrows, J. Mark F. Gardner, Andrew R. Leach
Published 2021-02-01

Integrative GWAS and co-localisation analysis suggests novel genes associated with age-related multimorbidity

by Clare E. West, Mohd Karim, Maria J. Falaguera, Leo Speidel, Charlotte J. Green, Lisa Logie, Jeremy Schwartzentruber, David Ochoa, Janet M. Lord, Michael A. J. Ferguson, Chas Bountra, Graeme F. Wilkinson, Beverley Vaughan, Andrew R. Leach, Ian Dunham, Brian D. Marsden
Published 2023-09-01

Drug mechanism‐of‐action discovery through the integration of pharmacological and CRISPR screens

by Emanuel Gonçalves, Aldo Segura‐Cabrera, Clare Pacini, Gabriele Picco, Fiona M Behan, Patricia Jaaks, Elizabeth A Coker, Donny van derMeer, Andrew Barthorpe, Howard Lightfoot, Tatiana Mironenko, Alexandra Beck, Laura Richardson, Wanjuan Yang, Ermira Lleshi, James Hall, Charlotte Tolley, Caitlin Hall, Iman Mali, Frances Thomas, James Morris, Andrew R Leach, James T Lynch, Ben Sidders, Claire Crafter, Francesco Iorio, Stephen Fawell, Mathew J Garnett
Published 2020-07-01

Genome-wide association analysis and Mendelian randomization proteomics identify drug targets for heart failure

by Danielle Rasooly, Gina M. Peloso, Alexandre C. Pereira, Hesam Dashti, Claudia Giambartolomei, Eleanor Wheeler, Nay Aung, Brian R. Ferolito, Maik Pietzner, Eric H. Farber-Eger, Quinn Stanton Wells, Nicole M. Kosik, Liam Gaziano, Daniel C. Posner, A. Patrícia Bento, Qin Hui, Chang Liu, Krishna Aragam, Zeyuan Wang, Brian Charest, Jennifer E. Huffman, Peter W. F. Wilson, Lawrence S. Phillips, John Whittaker, Patricia B. Munroe, Steffen E. Petersen, Kelly Cho, Andrew R. Leach, María Paula Magariños, John Michael Gaziano, VA Million Veteran Program, Claudia Langenberg, Yan V. Sun, Jacob Joseph, Juan P. Casas
Published 2023-07-01