Thierry Kogej

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.

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.

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.

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.

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.