FieldChopper, A New Tool for Automatic Model Generation and Virtual Screening Based on Molecular Fields. - Tuomo Kalliokoski; Toni Rönkkö; Antti Poso (J. Chem. Inf. Model., 2008)

The Effect of Ligand-Based Tautomer and Protomer Prediction on Structure-Based Virtual Screening. - Tuomo Kalliokoski; Heikki S. Salo; Maija Lahtela-Kakkonen; Antti Poso (J. Chem. Inf. Model., 2009)

Comprehensive data-driven analysis of the impact of chemoinformatic structure on the genome-wide biological response profiles of cancer cells to 1159 drugs. - Suleiman A. Khan; Ali Faisal; John Mpindi; Juuso A. Parkkinen; Tuomo Kalliokoski; Antti Poso; Olli-P. Kallioniemi; Krister Wennerberg; Samuel Kaski (BMC Bioinform., 2012)

Subpocket Analysis Method for Fragment-Based Drug Discovery. - Tuomo Kalliokoski; Tjelvar S. G. Olsson; Anna Vulpetti (J. Chem. Inf. Model., 2013)

Requirement analysis for an artificial intelligence model for the diagnosis of the COVID-19 from chest X-ray data. - Tuomo Kalliokoski (BIBM, 2021)

Machine Learning-Boosted Docking Enables the Efficient Structure-Based Virtual Screening of Giga-Scale Enumerated Chemical Libraries. - Toni Sivula; Laxman Yetukuri; Tuomo Kalliokoski; Heikki Käsnänen; Antti Poso; Ina Pöhner (J. Chem. Inf. Model., 2023)

SpaceHASTEN: A Structure-Based Virtual Screening Tool for Nonenumerated Virtual Chemical Libraries. - Tuomo Kalliokoski; Ainoleena Turku; Heikki Käsnänen (J. Chem. Inf. Model., 2025)