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Trends in Pharmacological Sciences|October 21, 2019
Has Drug Design Augmented by Artificial Intelligence Become a Reality?Hongming Chen, Ola EngkvistMolecular Informatics|August 2, 2016
An Investigation of the Relationship Between Molecular Topology and CYP3A4 Inhibition for Drug-like CompoundsRurika Oka, Ola Engkvist, Hongming ChenMolecular Informatics|May 19, 2018
Cheminformatics in Drug Discovery, an Industrial PerspectiveHongming Chen, Thierry Kogej, Ola EngkvistJournal of Chemical Information and Modeling|November 17, 2010
Molecular topology analysis of the differences between drugs, clinical candidate compounds, and bioactive moleculesHongming Chen, Yidong Yang, Ola EngkvistMethods in Molecular Biology (Clifton, N.J.)|October 29, 2010
Combinatorial library design from reagent pharmacophore fingerprintsHongming Chen, Ola Engkvist, Niklas BlombergJournal of Molecular Graphics & Modelling|January 29, 2013
Investigation of the influence of molecular topology on ligand bindingRurika Oka, Ola Engkvist, Hongming ChenJournal of Cheminformatics|November 1, 2017
Molecular de-novo design through deep reinforcement learningMarcus Olivecrona, Thomas Blaschke, Ola Engkvist, et al.Journal of Medicinal Chemistry|March 27, 2012
Beyond size, ionization state, and lipophilicity: influence of molecular topology on absorption, distribution, metabolism, excretion, and toxicity for druglike compoundsYidong Yang, Ola Engkvist, Antonio Llinàs, et al.Journal of Chemical Information and Modeling|May 21, 2021
Comparative Study of Deep Generative Models on Chemical Space CoverageJie Zhang, Rocío Mercado, Ola Engkvist, et al.Journal of Cheminformatics|December 9, 2020
Memory-assisted reinforcement learning for diverse molecular de novo designThomas Blaschke, Ola Engkvist, Jürgen Bajorath, et al.Pageof 27