- Hem
- Om universitetet
- Hitta person
- Ola Engkvist
Ola Engkvist
Affilierad professor
Data Science och AI (DSAI 1)-
BOLTZMANN PRIORS FOR IMPLICIT TRANSFER
OPERATORS
Juan Viguera Diez, MATHIAS JACOB SCHREINER, Ola Engkvist, Simon Olsson
13th International Conference on Learning Representations Iclr 2025 - 2025 -
Practically Significant Method Comparison Protocols for Machine Learning in Small Molecule Drug
Discovery
Jeremy R. Ash, Cas Wognum, Raquel Rodriguez-Perez, Matteo Aldeghi, Alan C. Cheng, Djork-Arne Clevert, Ola Engkvist, Cheng Fang, Daniel J. Price, Jacqueline M. Hughes-Oliver, W. Patrick Walters
JOURNAL OF CHEMICAL INFORMATION AND MODELING - 2025 -
Protein–ligand data at scale to support machine
learning
Aled M. Edwards, Dafydd R. Owen, Suzanne Ackloo, Albert A. Antolin, Cheryl Arrowsmith, Alison D. Axtman, Arrash J. Baghaie, Dalia Barsyte-Lovejoy, Frances M. Bashore, Mario H. Bengtson, Peter J. Brown, Nicola A. Burgess-Brown, Timothy Cernak, Djork Arné Clevert, Jesse A. Coker, Wendy D. Cornell, Rafael Counago, Sergio Martinez Cuesta, Alejandra Solache Diaz, Snezana Djordjevic, Dengfeng Dou, David Drewry, Katharina Duerr, Madison M. Edwards, Ola Engkvist, Amaury Fernández-Montalván, Luca Foschini, Opher Gileadi, Claudia Gordijo, Marie Aude Guié, Judith Günther, Benjamin Haibe-Kains, Levon Halabelian, Thomas Hanke, Rachel J. Harding, Ingo V. Hartung, Emily Rose Holzinger, Sandra Häberle, Scott A. Johnson, Aimo Kannt, Anthony Keefe, Stefan Knapp, Florian Krieger, Oliver Krämer, Andrew R. Leach, Uta Lessel, Sofia Melliou, Maurice Michel, Juan Carlos Mobarec, Florian Montel, Maxwell R. Morgan, Anke Mueller-Fahrnow, Susanne Müller-Knapp, John P. O’Donnell, Hui Peng, Dušan Petrović, Emma Rivers, Kumar Saikatendu, Santha Santhakumar, Matthieu Schapira, Lovisa Holmberg Schiavone, Kristof Schütt, Min Shen, Lucas Rodrigo de Souza, Shaun Stauffer, Andreas Steffen, Michael Sundström, Sven Thamm, Amelia Tjaden, Matthew H. Todd, Claudia Tredup, Alexander Tropsha, Erik Vernet, Jarrod Walsh, Yanli Wang, James Wellnitz, Timothy M. Willson, Damian W. Young, Leili Zhang
Nature Reviews Chemistry - 2025 -
MolEncoder: towards optimal masked language modeling for
molecules
Fabian P. Kruger, Nicklas Osterbacka, Mikhail Kabeshov, Ola Engkvist, Igor Tetko
DIGITAL DISCOVERY - 2025 -
From concept to chemistry: integrating protection group strategy and reaction feasibility into non-natural amino acid synthesis
planning
Gokce Geylan, Mikhail Kabeshov, Samuel Genheden, Christos Kannas, Thierry Kogej, Leonardo De Maria, Florian David, Ola Engkvist
CHEMICAL SCIENCE - 2025 -
Network Analysis of the Organic Chemistry in Patents, Literature, and Pharmaceutical
Industry
Emma Svensson, Emma Granqvist, Tomas Bastys, Christos Kannas, Mikhail Kabeshov, Samuel Genheden, Ola Engkvist, Thierry Kogej
Molecular Informatics - 2025 -
PepINVENT: generative peptide design beyond natural amino
acids
Gokce Geylan, Jon Paul Janet, Alessandro Tibo, Jiazhen He, Atanas Patronov, Mikhail Kabeshov, Werngard Czechtizky, Florian David, Ola Engkvist, Leonardo De Maria
CHEMICAL SCIENCE - 2025 -
Utilizing reinforcement learning for de novo drug
design
Hampus Gummesson Svensson, Christian Tyrchan, Ola Engkvist, Morteza Haghir Chehreghani
MACHINE LEARNING - 2024 -
QSARtuna: An Automated QSAR Modeling Platform for Molecular Property Prediction in Drug
Design
Lewis Mervin, Alexey Voronov, Mikhail Kabeshov, Ola Engkvist
JOURNAL OF CHEMICAL INFORMATION AND MODELING - 2024 -
A methodology to correctly assess the applicability domain of cell membrane permeability predictors for cyclic
peptides
Goekce Geylan, Leonardo De Maria, Ola Engkvist, Florian David, Ulf Norinder
DIGITAL DISCOVERY - 2024 -
De novo generated combinatorial library
design
Simon Viet Johansson, Morteza Haghir Chehreghani, Ola Engkvist, Alexander Schliep
Digital Discovery - 2024