| Design of organic molecules with large two-photon absorption cross sections M Albota, D Beljonne, JL Brédas, JE Ehrlich, JY Fu, AA Heikal, SE Hess, ... Science 281 (5383), 1653-1656, 1998 | 2766 | 1998 |
| Generating focused molecule libraries for drug discovery with recurrent neural networks MHS Segler, T Kogej, C Tyrchan, MP Waller ACS central science 4 (1), 120-131, 2017 | 1507 | 2017 |
| Mechanisms for enhancement of two-photon absorption in donor–acceptor conjugated chromophores T Kogej, D Beljonne, F Meyers, JW Perry, SR Marder, JL Brédas Chemical Physics Letters 298 (1-3), 1-6, 1998 | 409 | 1998 |
| Designing novel building blocks is an overlooked strategy to improve compound quality FW Goldberg, JG Kettle, T Kogej, MWD Perry, NP Tomkinson Drug Discovery Today 20 (1), 11-17, 2015 | 207 | 2015 |
| Tuning the two-photon absorption response of quadrupolar organic molecules E Zojer, D Beljonne, T Kogej, H Vogel, SR Marder, JW Perry, JL Bredas The Journal of chemical physics 116 (9), 3646-3658, 2002 | 151 | 2002 |
| Datasets and their influence on the development of computer assisted synthesis planning tools in the pharmaceutical domain A Thakkar, T Kogej, JL Reymond, O Engkvist, EJ Bjerrum Chemical science 11 (1), 154-168, 2020 | 137 | 2020 |
| Straightforward strategies for the preparation of NH-sulfoximines: a serendipitous story JA Bull, L Degennaro, R Luisi Synlett 28 (19), 2525-2538, 2017 | 129 | 2017 |
| ChemGPS-NPWeb: chemical space navigation online J Rosén, A Lövgren, T Kogej, S Muresan, J Gottfries, A Backlund Journal of computer-aided molecular design 23, 253-259, 2009 | 122 | 2009 |
| Secondary metabolites from cetrarioid lichens: Chemotaxonomy, biological activities and pharmaceutical potential M Xu, S Heidmarsson, ES Olafsdottir, R Buonfiglio, T Kogej, S Omarsdottir Phytomedicine 23 (5), 441-459, 2016 | 98 | 2016 |
| Making every SAR point count: the development of Chemistry Connect for the large-scale integration of structure and bioactivity data S Muresan, P Petrov, C Southan, MJ Kjellberg, T Kogej, C Tyrchan, ... Drug Discovery Today 16 (23-24), 1019-1030, 2011 | 95 | 2011 |
| Multifingerprint based similarity searches for targeted class compound selection T Kogej, O Engkvist, N Blomberg, S Muresan Journal of chemical information and modeling 46 (3), 1201-1213, 2006 | 86 | 2006 |
| Big pharma screening collections: more of the same or unique libraries? The AstraZeneca–Bayer Pharma AG case T Kogej, N Blomberg, PJ Greasley, S Mundt, MJ Vainio, J Schamberger, ... Drug discovery today 18 (19-20), 1014-1024, 2013 | 80 | 2013 |
| Comparison of molecular fingerprint methods on the basis of biological profile data A Steffen, T Kogej, C Tyrchan, O Engkvist Journal of chemical information and modeling 49 (2), 338-347, 2009 | 71 | 2009 |
| LibINVENT: Reaction-based Generative Scaffold Decoration for in Silico Library Design V Fialková, J Zhao, K Papadopoulos, O Engkvist, EJ Bjerrum, T Kogej, ... Journal of Chemical Information and Modeling 62 (9), 2046-2063, 2021 | 59 | 2021 |
| Cheminformatics in drug discovery, an industrial perspective H Chen, T Kogej, O Engkvist Molecular Informatics 37 (9-10), 1800041, 2018 | 58 | 2018 |
| Applications of deep-learning in exploiting large-scale and heterogeneous compound data in industrial pharmaceutical research L David, J Arús-Pous, J Karlsson, O Engkvist, EJ Bjerrum, T Kogej, ... Frontiers in pharmacology 10, 1303, 2019 | 56 | 2019 |
| Pyrazolone methylamino piperidine derivatives as novel CCR3 antagonists C Pégurier, P Collart, P Danhaive, S Defays, M Gillard, F Gilson, T Kogej, ... Bioorganic & medicinal chemistry letters 17 (15), 4228-4231, 2007 | 56 | 2007 |
| On the use of real-world datasets for reaction yield prediction M Saebi, B Nan, JE Herr, J Wahlers, Z Guo, AM Zurański, T Kogej, ... Chemical science 14 (19), 4997-5005, 2023 | 51 | 2023 |
| AI-assisted synthesis prediction S Johansson, A Thakkar, T Kogej, E Bjerrum, S Genheden, T Bastys, ... Drug Discovery Today: Technologies 32, 65-72, 2019 | 49 | 2019 |
| Exploring in silico prediction of the unbound brain-to-plasma drug concentration ratio: model validation, renewal, and interpretation S Varadharajan, S Winiwarter, L Carlsson, O Engkvist, A Anantha, ... Journal of Pharmaceutical Sciences 104 (3), 1197-1206, 2015 | 44 | 2015 |
Jean-Luc BredasThe University of ArizonaVerified email at email.arizona.edu
