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ORCIDStephen D. Pickett
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2020 – today
- 2024
[j20]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)- [j19]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) - 2023
- [j18]Jonathan G. M. Conn, James W. Carter, Justin J. A. Conn, Vigneshwari Subramanian, Andrew Baxter, Ola Engkvist, Antonio Llinàs, Ekaterina Ratkova, Stephen D. Pickett, James L. McDonagh, David S. Palmer:
Blinded Predictions and Post Hoc Analysis of the Second Solubility Challenge Data: Exploring Training Data and Feature Set Selection for Machine and Deep Learning Models. J. Chem. Inf. Model. 63(4): 1099-1113 (2023) - 2022
- [j17]Ellen E. Guest, Luis F. Cervantes, Stephen D. Pickett, Charles L. Brooks III, Jonathan D. Hirst:
Alchemical Free Energy Methods Applied to Complexes of the First Bromodomain of BRD4. J. Chem. Inf. Model. 62(6): 1458-1470 (2022) - 2020
- [j16]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) - [j15]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) - [j14]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
- 2019
- [j13]Peter Pogány, Navot Arad, Sam Genway, Stephen D. Pickett:
De Novo Molecule Design by Translating from Reduced Graphs to SMILES. J. Chem. Inf. Model. 59(3): 1136-1146 (2019) - 2013
- [j12]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) - 2010
- [j11]George Papadatos, Muhammad Alkarouri, Valerie J. Gillet, Peter Willett, Visakan Kadirkamanathan, Christopher N. Luscombe, Gianpaolo Bravi, Nicola J. Richmond, Stephen D. Pickett, Jameed Hussain, John Pritchard, Anthony W. J. Cooper, Simon J. F. Macdonald:
Lead Optimization Using Matched Molecular Pairs: Inclusion of Contextual Information for Enhanced Prediction of hERG Inhibition, Solubility, and Lipophilicity. J. Chem. Inf. Model. 50(10): 1872-1886 (2010)
2000 – 2009
- 2009
- [j10]George Papadatos, Anthony W. J. Cooper, Visakan Kadirkamanathan, Simon J. F. Macdonald, Iain M. McLay, Stephen D. Pickett, John Pritchard, Peter Willett, Valerie J. Gillet:
Analysis of Neighborhood Behavior in Lead Optimization and Array Design. J. Chem. Inf. Model. 49(2): 195-208 (2009) - 2008
- [j9]Kristian Birchall, Valerie J. Gillet, Gavin Harper, Stephen D. Pickett:
Evolving Interpretable Structure-Activity Relationships. 1. Reduced Graph Queries. J. Chem. Inf. Model. 48(8): 1543-1557 (2008) - [j8]Kristian Birchall, Valerie J. Gillet, Gavin Harper, Stephen D. Pickett:
Evolving Interpretable Structure-Activity Relationship Models. 2. Using Multiobjective Optimization To Derive Multiple Models. J. Chem. Inf. Model. 48(8): 1558-1570 (2008) - 2007
- [j7]Craig L. Bruce, James L. Melville, Stephen D. Pickett, Jonathan D. Hirst:
Contemporary QSAR Classifiers Compared. J. Chem. Inf. Model. 47(1): 219-227 (2007) - 2006
- [j6]Kristian Birchall, Valerie J. Gillet, Gavin Harper, Stephen D. Pickett:
Training Similarity Measures for Specific Activities: Application to Reduced Graphs. J. Chem. Inf. Model. 46(2): 577-586 (2006) - 2004
- [j5]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
- [j4]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) - 2000
- [j3]Stephen D. Pickett, Iain M. McLay, David E. Clark:
Enhancing the Hit-to-Lead Properties of Lead Optimization Libraries. J. Chem. Inf. Comput. Sci. 40(2): 263-272 (2000) - [j2]Bernard Pirard, Stephen D. Pickett:
Classification of Kinase Inhibitors Using BCUT Descriptors. J. Chem. Inf. Comput. Sci. 40(6): 1431-1440 (2000)
1990 – 1999
- 1996
- [j1]Stephen D. Pickett, Jonathan S. Mason, Iain M. McLay:
Diversity Profiling and Design Using 3D Pharmacophores: Pharmacophore-Derived Queries (PDQ). J. Chem. Inf. Comput. Sci. 36(6): 1214-1223 (1996)
Coauthor Index
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