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Current Opinion in Structural Biology|March 26, 2023
Artificial intelligence in molecular de novo design: Integration with experimentJon Paul Janet, Lewis Mervin, Ola EngkvistJournal of Cheminformatics|January 12, 2021
Molecular representations in AI-driven drug discovery: a review and practical guideLaurianne David, Amol Thakkar, Rocío Mercado, et al.Journal of Chemical Information and Modeling|May 23, 2006
Multifingerprint based similarity searches for targeted class compound selectionThierry Kogej, Ola Engkvist, Niklas Blomberg, et al.Journal of Chemical Information and Modeling|May 13, 2009
Comparison of molecular fingerprint methods on the basis of biological profile dataAndreas Steffen, Thierry Kogej, Christian Tyrchan, et al.Journal of Chemical Information and Modeling|July 1, 2024
QSARtuna: An Automated QSAR Modeling Platform for Molecular Property Prediction in Drug DesignLewis Mervin, Alexey Voronov, Mikhail Kabeshov, et al.Journal of Chemical Information and Modeling|October 26, 2017
Innovation in Small-Molecule-Druggable Chemical Space: Where are the Initial Modulators of New Targets Published?Stephanie K Ashenden, Thierry Kogej, Ola Engkvist, et al.Proteins|November 1, 2007
Molecular modeling of the second extracellular loop of G-protein coupled receptors and its implication on structure-based virtual screeningChris de Graaf, Nicolas Foata, Ola Engkvist, et al.Journal of Biomolecular Screening|January 21, 2014
The Role of Historical Bioactivity Data in the Deconvolution of Phenotypic ScreensAurelie Bornot, Carolyn Blackett, Ola Engkvist, et al.Journal of Chemical Information and Modeling|September 1, 2020
Comparison of Scaling Methods to Obtain Calibrated Probabilities of Activity for Protein-Ligand PredictionsLewis H Mervin, Avid M Afzal, Ola Engkvist, et al.Bioorganic & Medicinal Chemistry Letters|November 3, 2009
Physicochemical property profiles of marketed drugs, clinical candidates and bioactive compoundsChristian Tyrchan, Niklas Blomberg, Ola Engkvist, et al.Pageof 27