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Kathryn A. Giblin
Kathryn A. Giblin
AstraZeneca
Drug
Adverse effect
Chemistry
Computational biology
preclinical toxicity
6
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15
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DockStream: a docking wrapper to enhance de novo molecular design.
2021
Journal of Cheminformatics
Jeff Guo
Jon Paul Janet
Matthias R. Bauer
Eva Nittinger
Kathryn A. Giblin
Kostas Papadopoulos
Alexey Voronov
Atanas Patronov
Ola Engkvist
Christian Margreitter
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DockStream: A Docking Wrapper to Enhance De Novo Molecular Design
2021
ChemRxiv
Jeff Guo
Jon Paul Janet
Matthias R. Bauer
Eva Nittinger
Kathryn A. Giblin
Kostas Papadopoulos
Alexey Voronov
Atanas Patronov
Ola Engkvist
Christian Margreitter
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Erratum to "De novo design with deep generative models based on 3D similarity scoring" [Bioorg. Med. Chem. 44 (2021) 116308].
2021
Bioorganic & Medicinal Chemistry
Kostas Papadopoulos
Kathryn A. Giblin
Jon Paul Janet
Atanas Patronov
Ola Engkvist
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Information-Derived Mechanistic Hypotheses for Structural Cardiotoxicity
2018
Chemical Research in Toxicology
Fredrik Svensson
Azedine Zoufir
Samar Mahmoud
Avid M. Afzal
Ines Smit
Kathryn A. Giblin
Peter Clements
Jerome Mettetal
Amy Pointon
James Harvey
Nigel Greene
Richard V Williams
Andreas Bender
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Citations (2)
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