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Thierry Kogej
Researcher at AstraZeneca
Publications - 48
Citations - 4867
Thierry Kogej is an academic researcher from AstraZeneca. The author has contributed to research in topics: Virtual screening & Two-photon absorption. The author has an hindex of 21, co-authored 46 publications receiving 4176 citations. Previous affiliations of Thierry Kogej include University of Mons & UCB.
Papers
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Journal ArticleDOI
Design of Organic Molecules with Large Two-Photon Absorption Cross Sections
Marius A. Albota,David Beljonne,Jean-Luc Brédas,J. E. Ehrlich,Jia Ying Fu,Ahmed A. Heikal,Samuel E. Hess,Thierry Kogej,Michael D. Levin,Seth R. Marder,D. McCord-Maughon,Joseph W. Perry,H. Rockel,Mariacristina Rumi,Girija Subramaniam,Watt W. Webb,Xiang Li Wu,Chris Xu +17 more
TL;DR: The combination of large delta and high fluorescence quantum yield or triplet yield exhibited by molecules developed here offers potential for unprecedented brightness in two-photon fluorescent imaging or enhanced photosensitivity in two -photon sensitization, respectively.
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Generating Focused Molecule Libraries for Drug Discovery with Recurrent Neural Networks
TL;DR: This work shows that recurrent neural networks can be trained as generative models for molecular structures, similar to statistical language models in natural language processing, and demonstrates that the properties of the generated molecules correlate very well with those of the molecules used to train the model.
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Mechanisms for enhancement of two-photon absorption in donor–acceptor conjugated chromophores
Thierry Kogej,Thierry Kogej,David Beljonne,F. Meyers,Joseph W. Perry,Seth R. Marder,Jean-Luc Brédas,Jean-Luc Brédas +7 more
TL;DR: In this article, the structure-TPA property relationships for donor-acceptor π-conjugated compounds were investigated on the basis of correlated quantum-chemical calculations, which provided strategies to design dyes with large TPA cross-sections for fundamental photon wavelengths in the desired 0.6-1.0 μm range of wavelengths.
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Designing novel building blocks is an overlooked strategy to improve compound quality
TL;DR: General principles that should be applied to ensure that a building block collection has the greatest impact on drug discovery projects are outlined, by discussing design principles for novel reagents and what types of reagents are popular with medicinal chemists in general.
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Tuning the two-photon absorption response of quadrupolar organic molecules
Egbert Zojer,David Beljonne,Thierry Kogej,H. Vogel,Seth R. Marder,Joseph W. Perry,Jean-Luc Brédas +6 more
TL;DR: In this paper, correlated quantum-chemical techniques were applied to study the origin of the large two-photon absorption (TPA) cross sections, δ, in stilbene derivatives in which electron-donating and electron-withdrawing substituents provided a quadrupolar charge transfer arrangement.