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Stephen D. Pickett

gsk

35H-index
84Paper Count
5.9KCitation Count
Published Papers 32
Publication Date
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Automated Molecular Design in BRADSHAW; Applied to the Optimization of ERAP1 Inhibitors
errJournal of Medicinal Chemistry
IF6.8
err2026-04-13
err0
PREAI
errRobert P. Law; Ian D. Wall; Richard Lonsdale; Ross P. Hryczanek; Daniel Barker; Tim N. Barrett; Rino A. Bit; John J. Coward; Matthew W. Gray; Darren V. S. Green; Callum J. Hall; Ashley P. Hancock; Carl Haslam; David J. Hirst; Heather F. Hryczanek; Jonathan P. Hutchinson; Semra Kitchen; David Marcus; Jared Marklew; Joseph Mason; Nicholas D. Measom; Margarete Neu; Simon Peace; Alex Phillipou; Stephen D. Pickett; Peter Pogány; James Rowedder; Paul Rowland; Paul Scott-Stevens; Gail A. L. Seal; Hester Sheehan; Efstratios Stratikos; Chloe Tayler; Jonathan A. Taylor; Christopher P. Tinworth; Giovanni Vitulli
errShare
errSave
Query Matters: How Selection Strategies Influence Active Learning in Drug Discovery
errJournal of Chemical Information and Modeling
IF5.3
err2026-02-26
err0
errOAAI
errHuw J. Williams; Stephen D. Pickett; Andrew Baxter; David S. Palmer
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errSave
Benchmarking 3D Structure-Based Molecule Generators
errJournal of Chemical Information and Modeling
IF5.3
err2025-07-25
err0
errOAAI
errNatasha Sanjrani; Damien E. Coupry; Peter Pogány; David S. Palmer; Stephen D. Pickett
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errSave
Visualising lead optimisation series using reduced graphs
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2025-04-24
err0
errOAAI
errStacey, Jessica; Canault, Baptiste; Pickett, Stephen D.; Gillet, Valerie J.
errShare
errSave
bbSelect - An Open-Source Tool for Performing a 3D Pharmacophore-Driven Diverse Selection of R-Groups
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-06-01
err0
errOAAI
errRianjongdee, Francesco; Palmer, David; Pickett, Stephen D.; Pogany, Peter; Tomkinson, Nicholas C. O.; Green, Darren V. S.
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errSave
MELLODDY: Cross-pharma Federated Learning at Unprecedented Scale Unlocks Benefits in QSAR without Compromising Proprietary Information
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-08-29
err34
errOAAI
errHeyndrickx, Wouter; Mervin, Lewis; Morawietz, Tobias; Sturm, Noe; Friedrich, Lukas; Zalewski, Adam; Pentina, Anastasia; Humbeck, Lina; Oldenhof, Martijn; Niwayama, Ritsuya; Schmidtke, Peter; Fechner, Nikolas; Simm, Jaak; Arany, Adam; Drizard, Nicolas; Jabal, Rama; Afanasyeva, Arina; Loeb, Regis; Verma, Shlok; Harnqvist, Simon; Holmes, Matthew; Pejo, Balazs; Telenczuk, Maria; Holway, Nicholas; Dieckmann, Arne; Rieke, Nicola; Zumsande, Friederike; Clevert, Djork-Arne; Krug, Michael; Luscombe, Christopher; Green, Darren; Ertl, Peter; Antal, Peter; Marcus, David; Do Huu, Nicolas; Fuji, Hideyoshi; Pickett, Stephen; Acs, Gergely; Boniface, Eric; Beck, Bernd; Sun, Yax; Gohier, Arnaud; Rippmann, Friedrich; Engkvist, Ola; Goeller, Andreas H.; Moreau, Yves; Galtier, Mathieu N.; Schuffenhauer, Ansgar; Ceulemans, Hugo
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errSave
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
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-02-09
err9
errOAAI
errConn, Jonathan G. M.; Carter, James W.; Conn, Justin J. A.; Subramanian, Vigneshwari; Baxter, Andrew; Engkvist, Ola; Llinas, Antonio; Ratkova, Ekaterina L.; Pickett, Stephen D.; McDonagh, James L.; Palmer, David S.
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errSave
Alchemical Free Energy Methods Applied to Complexes of the First Bromodomain of BRD4
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2022-03-08
err12
errOAAI
errGuest, Ellen E.; Cervantes, Luis F.; Pickett, Stephen D.; Brooks, Charles L., III; Hirst, Jonathan D.
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errSave
A Turing Test for Molecular Generators
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2020-09-21
err19
PREAI
errBush, Jacob T.; Pogany, Peter; Pickett, Stephen D.; Barker, Mike; Baxter, Andrew; Campos, Sebastien; Cooper, Anthony W. J.; Hirst, David; Inglis, Graham; Nadin, Alan; Patel, Vipulkumar K.; Poole, Darren; Pritchard, John; Washio, Yoshiaki; White, Gemma; Green, Darren V. S.
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errSave
Guidelines for Recurrent Neural Network Transfer Learning-Based Molecular Generation of Focused Libraries
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2020-07-13
err44
PREAI
errAmabilino, Silvia; Pogany, Peter; Pickett, Stephen D.; Green, Darren V. S.
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errSave
BRADSHAW: a system for automated molecular design (10.1007/s10822-019-00234-8, 2019)
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2019-11-06
err1
errOAAI
errGreen, Darren V. S.; Pickett, Stephen; Luscombe, Chris; Senger, Stefan; Marcus, David; Meslamani, Jamel; Brett, David; Powell, Adam; Masson, Jonathan
errShare
errSave
BRADSHAW: a system for automated molecular design
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2019-10-21
err33
errOAAI
errGreen, Darren V. S.; Pickett, Stephen; Luscombe, Chris; Senger, Stefan; Marcus, David; Meslamani, Jamel; Brett, David; Powell, Adam; Masson, Jonathan
errShare
errSave
De Novo Molecule Design by Translating from Reduced Graphs to SMILES
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2018-12-11
err50
PREAI
errPogany, Peter; Arad, Navot; Genway, Sam; Pickett, Stephen D.
errShare
errSave
Design Principles for Fragment Libraries: Maximizing the Value of Learnings from Pharma Fragment-Based Drug Discovery (FBDD) Programs for Use in Academia
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2016-05-16
err178
PREAI
errKeseru, Gyoergy M.; Erlanson, Daniel A.; Ferenczy, Gyoergy G.; Hann, Michael M.; Murray, Christopher W.; Pickett, Stephen D.
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errSave
Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2016-03-16
err25
errOAAI
errBorthwick, Jennifer A.; Ancellin, Nicolas; Bertrand, Sophie M.; Bingham, Ryan P.; Carter, Paul S.; Chun, Chun-wa; Churcher, Ian; Dodic, Nerina; Fournier, Charlene; Francis, Peter L.; Hobbs, Andrew; Jamieson, Craig; Pickett, Stephen D.; Smith, Sarah E.; Somers, Donald O'N.; Spitzfaden, Claus; Suckling, Colin J.; Young, Robert J.
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errSave
The Discovery of in Vivo Active Mitochondrial Branched-Chain Aminotransferase (BCATm) Inhibitors by Hybridizing Fragment and HTS Hits
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2015-07-02
err31
PREAI
errBertrand, Sophie M.; Ancellin, Nicolas; Beaufils, Benjamin; Bingham, Ryan P.; Borthwick, Jennifer A.; Boullay, Anne-Benedicte; Boursier, Eric; Carter, Paul S.; Chung, Chun-wa; Churcher, Ian; Dodic, Nerina; Fouchet, Marie-Helene; Foumier, Charlene; Francis, Peter L.; Gummer, Laura A.; Herry, Kenny; Hobbs, Andrew; Hobbs, Clare I.; Homes, Paul; Jamieson, Craig; Nicodeme, Edwige; Pickettlt, Stephen D.; Reid, Fain H.; Simpson, Graham L.; Sloan, Lisa A.; Smith, Sarah E.; Somers, Donald O'N.; Spitzfaden, Claus; Suckling, Cohn J.; Valko, Kara; Washio, Yoshiaki; Young, Robert J.
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errSave
An analysis of the attrition of drug candidates from four major pharmaceutical companies
errNATURE REVIEWS DRUG DISCOVERY
IF101.8
err2015-06-19
err1.0K
PREAI
errWaring, Michael J.; Arrowsmith, John; Leach, Andrew R.; Leeson, Paul D.; Mandrell, Sam; Owen, Robert M.; Pairaudeau, Garry; Pennie, William D.; Pickett, Stephen D.; Wang, Jibo; Wallace, Owen; Weir, Alex
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errSave
QSAR workbench: automating QSAR modeling to drive compound design
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2013-04-25
err34
errOAAI
errCox, Richard; Green, Darren V. S.; Luscombe, Christopher N.; Malcolm, Noj; Pickett, Stephen D.
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errSave
Molecular clinical safety intelligence: a system for bridging clinically focused safety knowledge to early-stage drug discovery - the GSK experience
errDRUG DISCOVERY TODAY
IF7.5
err2011-08-01
err7
PREAI
errVanderwall, Dana E.; Yuen, Nancy; Ai-Ansari, Mohammad; Bailey, James; Fram, David; Green, Darren V. S.; Pickett, Stephen; Vitulli, Giovanni; Luengo, Juan I.; Almenoff, June S. N.
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errSave
The impact of aromatic ring count on compound developability: further insights by examining carbo- and hetero-aromatic and -aliphatic ring types
errDRUG DISCOVERY TODAY
IF7.5
err2011-02-01
err386
PREAI
errRitchie, Timothy J.; Macdonald, Simon J. F.; Young, Robert J.; Pickett, Stephen D.
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errSave

Research Directions

No research directions
Co-authors
Cooperation Journals
C
Charles L. Brooks
H-index: 104 · Papers: 675
P
Peter Willett
H-index: 75 · Papers: 491
Y
Yves Moreau
H-index: 67 · Papers: 608
M
Michael J. Waring
H-index: 65 · Papers: 406
C
Christopher W. Murray
H-index: 62 · Papers: 157
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