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Ola Engkvist

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Utilizing Reinforcement Learning for de novo Drug Design

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Mar 30, 2023
Hampus Gummesson Svensson, Christian Tyrchan, Ola Engkvist, Morteza Haghir Chehreghani

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Industry-Scale Orchestrated Federated Learning for Drug Discovery

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Oct 17, 2022
Martijn Oldenhof, Gergely Ács, Balázs Pejó, Ansgar Schuffenhauer, Nicholas Holway, Noé Sturm, Arne Dieckmann, Oliver Fortmeier, Eric Boniface, Clément Mayer, Arnaud Gohier, Peter Schmidtke, Ritsuya Niwayama, Dieter Kopecky, Lewis Mervin, Prakash Chandra Rathi, Lukas Friedrich, András Formanek, Peter Antal, Jordon Rahaman, Adam Zalewski, Ezron Oluoch, Manuel Stößel, Michal Vančo, David Endico, Fabien Gelus, Thaïs de Boisfossé, Adrien Darbier, Ashley Nicollet, Matthieu Blottière, Maria Telenczuk, Van Tien Nguyen, Thibaud Martinez, Camille Boillet, Kelvin Moutet, Alexandre Picosson, Aurélien Gasser, Inal Djafar, Ádám Arany, Jaak Simm, Yves Moreau, Ola Engkvist, Hugo Ceulemans, Camille Marini, Mathieu Galtier

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Autonomous Drug Design with Multi-armed Bandits

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Jul 04, 2022
Hampus Gummesson Svensson, Esben Bjerrum, Christian Tyrchan, Ola Engkvist, Morteza Haghir Chehreghani

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Implications of Topological Imbalance for Representation Learning on Biomedical Knowledge Graphs

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Dec 13, 2021
Stephen Bonner, Ufuk Kirik, Ola Engkvist, Jian Tang, Ian P Barrett

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Parallel Capsule Networks for Classification of White Blood Cells

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Sep 06, 2021
Juan P. Vigueras-Guillén, Arijit Patra, Ola Engkvist, Frank Seeliger

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Understanding the Performance of Knowledge Graph Embeddings in Drug Discovery

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Jun 07, 2021
Stephen Bonner, Ian P Barrett, Cheng Ye, Rowan Swiers, Ola Engkvist, Charles Tapley Hoyt, William L Hamilton

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A Review of Biomedical Datasets Relating to Drug Discovery: A Knowledge Graph Perspective

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Feb 26, 2021
Stephen Bonner, Ian P Barrett, Cheng Ye, Rowan Swiers, Ola Engkvist, Andreas Bender, William Hamilton

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Application of generative autoencoder in de novo molecular design

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Nov 21, 2017
Thomas Blaschke, Marcus Olivecrona, Ola Engkvist, Jürgen Bajorath, Hongming Chen

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Molecular De Novo Design through Deep Reinforcement Learning

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Aug 29, 2017
Marcus Olivecrona, Thomas Blaschke, Ola Engkvist, Hongming Chen

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