| 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 | 2696 | 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 | 1184 | 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 | 400 | 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 | 188 | 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 | 149 | 2002 |
| 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 | 115 | 2009 |
| 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 | 96 | 2020 |
| 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 | 86 | 2011 |
| 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 | 83 | 2016 |
| 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 | 78 | 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 | 77 | 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 | 65 | 2009 |
| 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 | 50 | 2007 |
| 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 | 44 | 2019 |
| Dual NK1 antagonists—serotonin reuptake inhibitors as potential antidepressants. Part 2: SAR and activity of benzyloxyphenethyl piperazine derivatives T Ryckmans, O Berton, R Grimée, T Kogej, Y Lamberty, P Pasau, ... Bioorganic & medicinal chemistry letters 12 (21), 3195-3198, 2002 | 42 | 2002 |
| Cheminformatics in drug discovery, an industrial perspective H Chen, T Kogej, O Engkvist Molecular Informatics 37 (9-10), 1800041, 2018 | 40 | 2018 |
| AI-assisted synthesis prediction S Johansson, A Thakkar, T Kogej, E Bjerrum, S Genheden, T Bastys, ... Drug Discovery Today: Technologies 32, 65-72, 2019 | 39 | 2019 |
| Scaffold hopping by fragment replacement MJ Vainio, T Kogej, F Raubacher, J Sadowski Journal of chemical information and modeling 53 (7), 1825-1835, 2013 | 39 | 2013 |
| Physicochemical property profiles of marketed drugs, clinical candidates and bioactive compounds C Tyrchan, N Blomberg, O Engkvist, T Kogej, S Muresan Bioorganic & medicinal chemistry letters 19 (24), 6943-6947, 2009 | 39 | 2009 |
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Jean-Luc BredasThe University of ArizonaVerified email at email.arizona.edu
