Stephen D. Pickett

According to our database, Stephen D. Pickett authored at least 19 papers between 1996 and 2024.

Collaborative distances:

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

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

2023

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.

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

J. Chem. Inf. Model., February, 2023

2022

Alchemical Free Energy Methods Applied to Complexes of the First Bromodomain of BRD4.

Ellen E. Guest, Luis F. Cervantes, Stephen D. Pickett, Charles L. Brooks III, Jonathan D. Hirst

J. Chem. Inf. Model., 2022

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

2019

De Novo Molecule Design by Translating from Reduced Graphs to SMILES.

Peter Pogány, Navot Arad, Sam Genway, Stephen D. Pickett

J. Chem. Inf. Model., 2019

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

2010

Lead Optimization Using Matched Molecular Pairs: Inclusion of Contextual Information for Enhanced Prediction of hERG Inhibition, Solubility, and Lipophilicity.

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

J. Chem. Inf. Model., 2010

2009

Analysis of Neighborhood Behavior in Lead Optimization and Array Design.

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

J. Chem. Inf. Model., 2009

2008

Evolving Interpretable Structure-Activity Relationship Models. 2. Using Multiobjective Optimization To Derive Multiple Models.

Kristian Birchall, Valerie J. Gillet, Gavin Harper, Stephen D. Pickett

J. Chem. Inf. Model., 2008

Evolving Interpretable Structure-Activity Relationships. 1. Reduced Graph Queries.

Kristian Birchall, Valerie J. Gillet, Gavin Harper, Stephen D. Pickett

J. Chem. Inf. Model., 2008

2007

Contemporary QSAR Classifiers Compared.

Craig L. Bruce, James L. Melville, Stephen D. Pickett, Jonathan D. Hirst

J. Chem. Inf. Model., 2007

2006

Training Similarity Measures for Specific Activities: Application to Reduced Graphs.

Kristian Birchall, Valerie J. Gillet, Gavin Harper, Stephen D. Pickett

J. Chem. Inf. Model., 2006

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

2000

Classification of Kinase Inhibitors Using BCUT Descriptors.

Bernard Pirard, Stephen D. Pickett

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

Enhancing the Hit-to-Lead Properties of Lead Optimization Libraries.

Stephen D. Pickett, Iain M. McLay, David E. Clark

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

1996

Diversity Profiling and Design Using 3D Pharmacophores: Pharmacophore-Derived Queries (PDQ).

Stephen D. Pickett, Jonathan S. Mason, Iain M. McLay

J. Chem. Inf. Comput. Sci., 1996