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2020 – today
- 2024
[j7]Wouter Heyndrickx
, Lewis H. Mervin, Tobias Morawietz, Noé Sturm, Lukas Friedrich, Adam Zalewski, Anastasia Pentina, Lina Humbeck, Martijn Oldenhof, Ritsuya Niwayama, Peter Schmidtke, Nikolas Fechner, Jaak Simm, Adam Arany, Nicolas Drizard, Rama Jabal, Arina Afanasyeva, Regis Loeb, Shlok Verma, Simon Harnqvist, Matthew Holmes, Balazs Pejo, Maria Telenczuk, Nicholas Holway, Arne Dieckmann, Nicola Rieke, Friederike Zumsande, Djork-Arné Clevert, Michael Krug, Christopher N. Luscombe, Darren V. S. Green, Peter Ertl, Peter Antal, David Marcus, Nicolas Do Huu, Hideyoshi Fuji, Stephen D. Pickett, Gergely Ács, Eric Boniface, Bernd Beck, Yax Sun, Arnaud Gohier, Friedrich Rippmann, Ola Engkvist, Andreas H. Göller, Yves Moreau, Mathieu N. Galtier, Ansgar Schuffenhauer, Hugo Ceulemans:
MELLODDY: Cross-pharma Federated Learning at Unprecedented Scale Unlocks Benefits in QSAR without Compromising Proprietary Information. J. Chem. Inf. Model. 64(7): 2331-2344 (2024)- 2020
- [j6]Darren V. S. Green, Stephen D. Pickett, Christopher N. Luscombe, Stefan Senger, David Marcus, Jamel Meslamani, David Brett, Adam Powell, Jonathan Masson:
BRADSHAW: a system for automated molecular design. J. Comput. Aided Mol. Des. 34(7): 747-765 (2020) - [j5]Darren V. S. Green, Stephen D. Pickett, Christopher N. Luscombe, Stefan Senger, David Marcus, Jamel Meslamani, David Brett, Adam Powell, Jonathan Masson:
Correction to: BRADSHAW: a system for automated molecular design. J. Comput. Aided Mol. Des. 34(7): 767 (2020)
2010 – 2019
- 2015
- [j4]Hamse Y. Mussa, David Marcus, John B. O. Mitchell, Robert C. Glen:
Verifying the fully "Laplacianised" posterior Naïve Bayesian approach and more. J. Cheminformatics 7: 27:1-27:11 (2015) - [j3]Lora Mak, David Marcus, Andrew Howlett, Galina Yarova, Guus Duchateau, Werner Klaffke, Andreas Bender, Robert C. Glen:
Metrabase: a cheminformatics and bioinformatics database for small molecule transporter data analysis and (Q)SAR modeling. J. Cheminformatics 7: 31:1-31:12 (2015) - 2014
- [j2]Alexios Koutsoukas, Shardul Paricharak, Warren R. J. D. Galloway, David R. Spring, Adriaan P. IJzerman, Robert C. Glen, David Marcus, Andreas Bender:
How Diverse Are Diversity Assessment Methods? A Comparative Analysis and Benchmarking of Molecular Descriptor Space. J. Chem. Inf. Model. 54(1): 230-242 (2014) - 2010
- [j1]Anwar Rayan, David Marcus, Amiram Goldblum:
Predicting Oral Druglikeness by Iterative Stochastic Elimination. J. Chem. Inf. Model. 50(3): 437-445 (2010)
Coauthor Index
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