no code implementations • 26 Dec 2022 • Rıza Özçelik, Derek van Tilborg, José Jiménez-Luna, Francesca Grisoni
Artificial intelligence (AI) in the form of deep learning bears promise for drug discovery and chemical biology, $\textit{e. g.}$, to predict protein structure and molecular bioactivity, plan organic synthesis, and design molecules $\textit{de novo}$.
no code implementations • 26 Jul 2021 • Kenneth Atz, Francesca Grisoni, Gisbert Schneider
Geometric deep learning (GDL), which is based on neural network architectures that incorporate and process symmetry information, has emerged as a recent paradigm in artificial intelligence.
no code implementations • 1 Jul 2020 • José Jiménez-Luna, Francesca Grisoni, Gisbert Schneider
Deep learning bears promise for drug discovery, including advanced image analysis, prediction of molecular structure and function, and automated generation of innovative chemical entities with bespoke properties.