Darren V. S. Green

According to our database, Darren V. S. Green authored at least 22 papers between 1999 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2024

bbSelect - An Open-Source Tool for Performing a 3D Pharmacophore-Driven Diverse Selection of R-Groups.

Francesco Rianjongdee, David Palmer, Stephen D. Pickett, Peter Pogány, Nicholas C. O. Tomkinson, Darren V. S. Green

J. Chem. Inf. Model., 2024

MELLODDY: Cross-pharma Federated Learning at Unprecedented Scale Unlocks Benefits in QSAR without Compromising Proprietary Information.

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

J. Chem. Inf. Model., 2024

2022

Ensemble Simulations and Experimental Free Energy Distributions: Evaluation and Characterization of Isoxazole Amides as SMYD3 Inhibitors.

Shunzhou Wan, Agastya P. Bhati, David W. Wright, Ian D. Wall, Alan P. Graves, Darren V. S. Green, Peter V. Coveney

J. Chem. Inf. Model., 2022

2021

MAIP: a web service for predicting blood-stage malaria inhibitors.

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

J. Cheminformatics, 2021

2020

Guidelines for Recurrent Neural Network Transfer Learning-Based Molecular Generation of Focused Libraries.

Silvia Amabilino, Peter Pogány, Stephen D. Pickett, Darren V. S. Green

J. Chem. Inf. Model., 2020

Correction to: BRADSHAW: a system for automated molecular design.

Darren V. S. Green, Stephen D. Pickett, Christopher N. Luscombe, Stefan Senger, David Marcus, Jamel Meslamani, David Brett, Adam Powell, Jonathan Masson

J. Comput. Aided Mol. Des., 2020

BRADSHAW: a system for automated molecular design.

Darren V. S. Green, Stephen D. Pickett, Christopher N. Luscombe, Stefan Senger, David Marcus, Jamel Meslamani, David Brett, Adam Powell, Jonathan Masson

J. Comput. Aided Mol. Des., 2020

2017

Shared Consensus Machine Learning Models for Predicting Blood Stage Malaria Inhibition.

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

J. Chem. Inf. Model., 2017

CADD medicine: design is the potion that can cure my disease.

Eric S. Manas, Darren V. S. Green

J. Comput. Aided Mol. Des., 2017

2015

WONKA: objective novel complex analysis for ensembles of protein-ligand structures.

Anthony R. Bradley, Ian D. Wall, Frank von Delft, Darren V. S. Green, Charlotte M. Deane, Brian D. Marsden

J. Comput. Aided Mol. Des., 2015

2014

OOMMPPAA: A Tool To Aid Directed Synthesis by the Combined Analysis of Activity and Structural Data.

Anthony R. Bradley, Ian D. Wall, Darren V. S. Green, Charlotte M. Deane, Brian D. Marsden

J. Chem. Inf. Model., 2014

2013

QSAR workbench: automating QSAR modeling to drive compound design.

Richard Cox, Darren V. S. Green, Christopher N. Luscombe, Noj Malcolm, Stephen D. Pickett

J. Comput. Aided Mol. Des., 2013

2012

Computer-aided molecular design under the SWOTlight.

Darren V. S. Green, Andrew R. Leach, Martha S. Head

J. Comput. Aided Mol. Des., 2012

2004

The Reduced Graph Descriptor in Virtual Screening and Data-Driven Clustering of High-Throughput Screening Data.

Gavin Harper, Gianpaolo Bravi, Stephen D. Pickett, Jameed Hussain, Darren V. S. Green

J. Chem. Inf. Model., 2004

2003

Optimizing the Size and Configuration of Combinatorial Libraries.

Trudi Wright, Valerie J. Gillet, Darren V. S. Green, Stephen D. Pickett

J. Chem. Inf. Comput. Sci., 2003

2002

Combinatorial Library Design Using a Multiobjective Genetic Algorithm.

Valerie J. Gillet, Wael Khatib, Peter Willett, Peter J. Fleming, Darren V. S. Green

J. Chem. Inf. Comput. Sci., 2002

2001

Prediction of Biological Activity for High-Throughput Screening Using Binary Kernel Discrimination.

Gavin Harper, John Bradshaw, John C. Gittins, Darren V. S. Green, Andrew R. Leach

J. Chem. Inf. Comput. Sci., 2001

2000

Where Are the GaPs? A Rational Approach to Monomer Acquisition and Selection.

Andrew R. Leach, Darren V. S. Green, Michael M. Hann, Duncan B. Judd, Andrew C. Good

J. Chem. Inf. Comput. Sci., 2000

PLUMS: a Program for the Rapid Optimization of Focused Libraries.

Gianpaolo Bravi, Darren V. S. Green, Michael M. Hann, Andrew R. Leach

J. Chem. Inf. Comput. Sci., 2000

1999

Implementation of a System for Reagent Selection and Library Enumeration, Profiling, and Design.

Andrew R. Leach, John Bradshaw, Darren V. S. Green, Michael M. Hann, John J. Delany III

J. Chem. Inf. Comput. Sci., 1999

Selecting Combinatorial Libraries to Optimize Diversity and Physical Properties.

Valerie J. Gillet, Peter Willett, John Bradshaw, Darren V. S. Green

J. Chem. Inf. Comput. Sci., 1999

Computational analysis of molecular diversity for drug discovery.

Martin J. Bayley, Valerie J. Gillet, Peter Willett, John Bradshaw, Darren V. S. Green

Proceedings of the Third Annual International Conference on Research in Computational Molecular Biology, 1999