Thierry Kogej
Thierry Kogej
Associate Principal Scientist, AstraZeneca
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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
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
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
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
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
ChemGPS-NP Web: Chemical space navigation online
J Rosén, A Lövgren, T Kogej, S Muresan, J Gottfries, A Backlund
Journal of computer-aided molecular design 23 (4), 253-259, 2009
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
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
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
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
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
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
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
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
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
Scaffold hopping by fragment replacement
MJ Vainio, T Kogej, F Raubacher, J Sadowski
Journal of chemical information and modeling 53 (7), 1825-1835, 2013
Structure–Second‐Order Polarizability Relationship in Chromophores
C Maertens, C Detrembleur, P Dubois, R Jérôme, C Boutton, A Persoons, ...
Chemistry–A European Journal 5 (1), 369-380, 1999
Cheminformatics in drug discovery, an industrial perspective
H Chen, T Kogej, O Engkvist
Molecular informatics 37 (9-10), 1800041, 2018
Development and design of the tertiary amino effect reaction for DNA-encoded library synthesis
X Tian, GS Basarab, N Selmi, T Kogej, Y Zhang, M Clark, RA Goodnow Jr
MedChemComm 7 (7), 1316-1322, 2016
Investigating pharmacological similarity by charting chemical space
R Buonfiglio, O Engkvist, P Várkonyi, A Henz, E Vikeved, A Backlund, ...
Journal of chemical information and modeling 55 (11), 2375-2390, 2015
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