| Comparability of Mixed IC50 Data – A Statistical Analysis T Kalliokoski, C Kramer, A Vulpetti, P Gedeck PloS one 8 (4), e61007, 2013 | 299 | 2013 |
| The Experimental Uncertainty of Heterogeneous Public Ki Data C Kramer, T Kalliokoski, P Gedeck, A Vulpetti Journal of medicinal chemistry 55 (11), 5165-5173, 2012 | 227 | 2012 |
| Expansion of chemical space for collaborative lead generation and drug discovery: the European Lead Factory Perspective A Karawajczyk, F Giordanetto, J Benningshof, D Hamza, T Kalliokoski, ... Drug Discovery Today 20 (11), 1310-1316, 2015 | 106 | 2015 |
| The effect of ligand-based tautomer and protomer prediction on structure-based virtual screening T Kalliokoski, HS Salo, M Lahtela-Kakkonen, A Poso Journal of Chemical Information and Modeling 49 (12), 2742-2748, 2009 | 80 | 2009 |
| Price-focused analysis of commercially available building blocks for combinatorial library synthesis T Kalliokoski ACS Combinatorial Science 17 (10), 600-607, 2015 | 56 | 2015 |
| Design and synthesis of DNA-encoded libraries based on a benzodiazepine and a pyrazolopyrimidine scaffold MK Škopić, O Bugain, K Jung, S Onstein, S Brandherm, T Kalliokoski, ... MedChemComm 7 (10), 1957-1965, 2016 | 42 | 2016 |
| Design, synthesis and decoration of molecular scaffolds for exploitation in the production of alkaloid-like libraries P Craven, A Aimon, M Dow, N Fleury-Bregeot, R Guilleux, R Morgentin, ... Bioorganic & Medicinal Chemistry 23 (11), 2629-2635, 2015 | 38 | 2015 |
| Chemogenomics in drug discovery: computational methods based on the comparison of binding sites A Vulpetti, T Kalliokoski, F Milletti Future medicinal chemistry 4 (15), 1971-1979, 2012 | 35 | 2012 |
| Subpocket analysis method for fragment-based drug discovery T Kalliokoski, TSG Olsson, A Vulpetti Journal of chemical information and modeling 53 (1), 131-141, 2013 | 31 | 2013 |
| Quality issues with public domain chemogenomics data T Kalliokoski, C Kramer, A Vulpetti Molecular informatics 32 (11‐12), 898-905, 2013 | 27 | 2013 |
| Comprehensive data-driven analysis of the impact of chemoinformatic structure on the genome-wide biological response profiles of cancer cells to 1159 drugs SA Khan, A Faisal, JP Mpindi, JA Parkkinen, T Kalliokoski, A Poso, ... BMC bioinformatics 13, 1-15, 2012 | 25 | 2012 |
| Exploitation of the Ugi–Joullié reaction in the synthesis of libraries of drug-like bicyclic hydantoins JD Firth, R Zhang, R Morgentin, R Guilleux, T Kalliokoski, S Warriner, ... Synthesis, 2391-2406, 2015 | 23 | 2015 |
| Discovery of novel cannabinoid receptor ligands by a virtual screening approach: further development of 2, 4, 6-trisubstituted 1, 3, 5-triazines as CB2 agonists S Yrjölä, T Kalliokoski, T Laitinen, A Poso, T Parkkari, T Nevalainen European Journal of Pharmaceutical Sciences 48 (1-2), 9-20, 2013 | 23 | 2013 |
| Realisation of small molecule libraries based on frameworks distantly related to natural products A Aimon, G Karageorgis, J Masters, M Dow, PGE Craven, M Ohsten, ... Organic & biomolecular chemistry 16 (17), 3160-3167, 2018 | 21 | 2018 |
| Translation of innovative chemistry into screening libraries: an exemplar partnership from the European Lead Factory R Morgentin, M Dow, A Aimon, G Karageorgis, T Kalliokoski, D Roche, ... Drug discovery today 23 (9), 1578-1583, 2018 | 19 | 2018 |
| Aminomethylhydroxylation of alkenes: Exploitation in the synthesis of scaffolds for small molecule libraries I Colomer, O Adeniji, GM Burslem, P Craven, MO Rasmussen, A Willaume, ... Bioorganic & Medicinal Chemistry 23 (11), 2736-2740, 2015 | 19 | 2015 |
| Machine Learning Boosted Docking (HASTEN): An Open‐source Tool To Accelerate Structure‐based Virtual Screening Campaigns T Kalliokoski Molecular Informatics 40 (9), 2100089, 2021 | 12 | 2021 |
| Drug screen in iPSC-Neurons identifies nucleoside analogs as inhibitors of (G4C2) n expression in C9orf72 ALS/FTD M Czuppa, A Dhingra, Q Zhou, C Schludi, L König, E Scharf, D Farny, ... Cell reports 39 (10), 2022 | 11 | 2022 |
| Predicting pKa for Small Molecules on Public and In‐house Datasets Using Fast Prediction Methods Combined with Data Fusion T Kalliokoski, K Sinervo Molecular Informatics 38 (7), 1800163, 2019 | 10 | 2019 |
| Machine Learning-Boosted Docking Enables the Efficient Structure-Based Virtual Screening of Giga-Scale Enumerated Chemical Libraries T Sivula, L Yetukuri, T Kalliokoski, H Käsnänen, A Poso, I Pöhner Journal of Chemical Information and Modeling 63 (18), 5773-5783, 2023 | 8 | 2023 |
