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ORCIDDarren V. S. Green
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2020 – today
- 2024
[j21]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)- [j20]Francesco Rianjongdee, David Palmer, Stephen D. Pickett, Peter Pogány, Nicholas C. O. Tomkinson, Darren V. S. Green:
bbSelect - An Open-Source Tool for Performing a 3D Pharmacophore-Driven Diverse Selection of R-Groups. J. Chem. Inf. Model. 64(12): 4687-4699 (2024) - 2022
- [j19]Shunzhou Wan, Agastya P. Bhati, David W. Wright, Ian D. Wall, Alan P. Graves, Darren V. S. Green, Peter V. Coveney:
Ensemble Simulations and Experimental Free Energy Distributions: Evaluation and Characterization of Isoxazole Amides as SMYD3 Inhibitors. J. Chem. Inf. Model. 62(10): 2561-2570 (2022) - 2021
- [j18]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 N. Burrows, J. Mark F. Gardner, Andrew R. Leach:
MAIP: a web service for predicting blood-stage malaria inhibitors. J. Cheminformatics 13(1): 13 (2021) - 2020
- [j17]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) - [j16]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) - [j15]Silvia Amabilino, Peter Pogány, Stephen D. Pickett, Darren V. S. Green:
Guidelines for Recurrent Neural Network Transfer Learning-Based Molecular Generation of Focused Libraries. J. Chem. Inf. Model. 60(12): 5699-5713 (2020)
2010 – 2019
- 2017
- [j14]Eric S. Manas, Darren V. S. Green:
CADD medicine: design is the potion that can cure my disease. J. Comput. Aided Mol. Des. 31(3): 249-253 (2017) - [j13]Andreas Verras, Chris L. Waller, Peter Gedeck, Darren V. S. Green, Thierry Kogej, Anandkumar Raichurkar, Manoranjan Panda, Anang A. Shelat, Julie Clark, R. Kiplin Guy, George Papadatos, Jeremy N. Burrows:
Shared Consensus Machine Learning Models for Predicting Blood Stage Malaria Inhibition. J. Chem. Inf. Model. 57(3): 445-453 (2017) - 2015
- [j12]Anthony R. Bradley, Ian D. Wall, Frank von Delft, Darren V. S. Green, Charlotte M. Deane, Brian D. Marsden:
WONKA: objective novel complex analysis for ensembles of protein-ligand structures. J. Comput. Aided Mol. Des. 29(10): 963-973 (2015) - 2014
- [j11]Anthony R. Bradley, Ian D. Wall, Darren V. S. Green, Charlotte M. Deane, Brian D. Marsden:
OOMMPPAA: A Tool To Aid Directed Synthesis by the Combined Analysis of Activity and Structural Data. J. Chem. Inf. Model. 54(10): 2636-2646 (2014) - 2013
- [j10]Richard Cox, Darren V. S. Green, Christopher N. Luscombe, Noj Malcolm, Stephen D. Pickett:
QSAR workbench: automating QSAR modeling to drive compound design. J. Comput. Aided Mol. Des. 27(4): 321-336 (2013) - 2012
- [j9]Darren V. S. Green, Andrew R. Leach, Martha S. Head:
Computer-aided molecular design under the SWOTlight. J. Comput. Aided Mol. Des. 26(1): 51-56 (2012)
2000 – 2009
- 2004
- [j8]Gavin Harper, Gianpaolo Bravi, Stephen D. Pickett, Jameed Hussain, Darren V. S. Green:
The Reduced Graph Descriptor in Virtual Screening and Data-Driven Clustering of High-Throughput Screening Data. J. Chem. Inf. Model. 44(6): 2145-2156 (2004) - 2003
- [j7]Trudi Wright, Valerie J. Gillet, Darren V. S. Green, Stephen D. Pickett:
Optimizing the Size and Configuration of Combinatorial Libraries. J. Chem. Inf. Comput. Sci. 43(2): 381-390 (2003) - 2002
- [j6]Valerie J. Gillet, Wael Khatib, Peter Willett, Peter J. Fleming, Darren V. S. Green:
Combinatorial Library Design Using a Multiobjective Genetic Algorithm. J. Chem. Inf. Comput. Sci. 42(2): 375-385 (2002) - 2001
- [j5]Gavin Harper, John Bradshaw, John C. Gittins, Darren V. S. Green, Andrew R. Leach:
Prediction of Biological Activity for High-Throughput Screening Using Binary Kernel Discrimination. J. Chem. Inf. Comput. Sci. 41(5): 1295-1300 (2001) - 2000
- [j4]Andrew R. Leach, Darren V. S. Green, Michael M. Hann, Duncan B. Judd, Andrew C. Good:
Where Are the GaPs? A Rational Approach to Monomer Acquisition and Selection. J. Chem. Inf. Comput. Sci. 40(5): 1262-1269 (2000) - [j3]Gianpaolo Bravi, Darren V. S. Green, Michael M. Hann, Andrew R. Leach:
PLUMS: a Program for the Rapid Optimization of Focused Libraries. J. Chem. Inf. Comput. Sci. 40(6): 1441-1448 (2000)
1990 – 1999
- 1999
- [j2]Valerie J. Gillet, Peter Willett, John Bradshaw, Darren V. S. Green:
Selecting Combinatorial Libraries to Optimize Diversity and Physical Properties. J. Chem. Inf. Comput. Sci. 39(1): 169-177 (1999) - [j1]Andrew R. Leach, John Bradshaw, Darren V. S. Green, Michael M. Hann, John J. Delany III:
Implementation of a System for Reagent Selection and Library Enumeration, Profiling, and Design. J. Chem. Inf. Comput. Sci. 39(6): 1161-1172 (1999) - [c1]Martin J. Bayley, Valerie J. Gillet, Peter Willett, John Bradshaw, Darren V. S. Green:
Computational analysis of molecular diversity for drug discovery. RECOMB 1999: 321-330
Coauthor Index
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