Darren V. S. Green

22 papers B 1Journal 21
YearRankTypeTitle / Venue / Authors
2024 J jnl
MELLODDY: Cross-pharma Federated Learning at Unprecedented Scale Unlocks Benefits in QSAR without Compromising Proprietary Information.
J. Chem. Inf. Model.
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
2024 J jnl
bbSelect - An Open-Source Tool for Performing a 3D Pharmacophore-Driven Diverse Selection of R-Groups.
J. Chem. Inf. Model.
Francesco Rianjongdee, David Palmer, Stephen D. Pickett, Peter Pogány, Nicholas C. O. Tomkinson, Darren V. S. Green
2022 J jnl
Ensemble Simulations and Experimental Free Energy Distributions: Evaluation and Characterization of Isoxazole Amides as SMYD3 Inhibitors.
J. Chem. Inf. Model.
Shunzhou Wan, Agastya P. Bhati, David W. Wright, Ian D. Wall, Alan P. Graves, Darren V. S. Green, Peter V. Coveney
2021 J jnl
MAIP: a web service for predicting blood-stage malaria inhibitors.
J. Cheminformatics
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
2020 J jnl
BRADSHAW: a system for automated molecular design.
J. Comput. Aided Mol. Des.
Darren V. S. Green, Stephen D. Pickett, Christopher N. Luscombe, Stefan Senger, David Marcus, Jamel Meslamani, David Brett, Adam Powell, Jonathan Masson
2020 J jnl
Correction to: BRADSHAW: a system for automated molecular design.
J. Comput. Aided Mol. Des.
Darren V. S. Green, Stephen D. Pickett, Christopher N. Luscombe, Stefan Senger, David Marcus, Jamel Meslamani, David Brett, Adam Powell, Jonathan Masson
2020 J jnl
Guidelines for Recurrent Neural Network Transfer Learning-Based Molecular Generation of Focused Libraries.
J. Chem. Inf. Model.
Silvia Amabilino, Peter Pogány, Stephen D. Pickett, Darren V. S. Green
2017 J jnl
CADD medicine: design is the potion that can cure my disease.
J. Comput. Aided Mol. Des.
Eric S. Manas, Darren V. S. Green
2017 J jnl
Shared Consensus Machine Learning Models for Predicting Blood Stage Malaria Inhibition.
J. Chem. Inf. Model.
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
2015 J jnl
WONKA: objective novel complex analysis for ensembles of protein-ligand structures.
J. Comput. Aided Mol. Des.
Anthony R. Bradley, Ian D. Wall, Frank von Delft, Darren V. S. Green, Charlotte M. Deane, Brian D. Marsden
2014 J jnl
OOMMPPAA: A Tool To Aid Directed Synthesis by the Combined Analysis of Activity and Structural Data.
J. Chem. Inf. Model.
Anthony R. Bradley, Ian D. Wall, Darren V. S. Green, Charlotte M. Deane, Brian D. Marsden
2013 J jnl
QSAR workbench: automating QSAR modeling to drive compound design.
J. Comput. Aided Mol. Des.
Richard Cox, Darren V. S. Green, Christopher N. Luscombe, Noj Malcolm, Stephen D. Pickett
2012 J jnl
Computer-aided molecular design under the SWOTlight.
J. Comput. Aided Mol. Des.
Darren V. S. Green, Andrew R. Leach, Martha S. Head
2004 J jnl
The Reduced Graph Descriptor in Virtual Screening and Data-Driven Clustering of High-Throughput Screening Data.
J. Chem. Inf. Model.
Gavin Harper, Gianpaolo Bravi, Stephen D. Pickett, Jameed Hussain, Darren V. S. Green
2003 J jnl
Optimizing the Size and Configuration of Combinatorial Libraries.
J. Chem. Inf. Comput. Sci.
Trudi Wright, Valerie J. Gillet, Darren V. S. Green, Stephen D. Pickett
2002 J jnl
Combinatorial Library Design Using a Multiobjective Genetic Algorithm.
J. Chem. Inf. Comput. Sci.
Valerie J. Gillet, Wael Khatib, Peter Willett, Peter J. Fleming, Darren V. S. Green
2001 J jnl
Prediction of Biological Activity for High-Throughput Screening Using Binary Kernel Discrimination.
J. Chem. Inf. Comput. Sci.
Gavin Harper, John Bradshaw, John C. Gittins, Darren V. S. Green, Andrew R. Leach
2000 J jnl
PLUMS: a Program for the Rapid Optimization of Focused Libraries.
J. Chem. Inf. Comput. Sci.
Gianpaolo Bravi, Darren V. S. Green, Michael M. Hann, Andrew R. Leach
2000 J jnl
Where Are the GaPs? A Rational Approach to Monomer Acquisition and Selection.
J. Chem. Inf. Comput. Sci.
Andrew R. Leach, Darren V. S. Green, Michael M. Hann, Duncan B. Judd, Andrew C. Good
1999 B conf
Computational analysis of molecular diversity for drug discovery.
RECOMB
Martin J. Bayley, Valerie J. Gillet, Peter Willett, John Bradshaw, Darren V. S. Green
1999 J jnl
Implementation of a System for Reagent Selection and Library Enumeration, Profiling, and Design.
J. Chem. Inf. Comput. Sci.
Andrew R. Leach, John Bradshaw, Darren V. S. Green, Michael M. Hann, John J. Delany III
1999 J jnl
Selecting Combinatorial Libraries to Optimize Diversity and Physical Properties.
J. Chem. Inf. Comput. Sci.
Valerie J. Gillet, Peter Willett, John Bradshaw, Darren V. S. Green