Session information

Symposium

[S53] Attempt at latent chemical space molecular design led by the fusion of AI technology, chemical biology, and organic synthesis

Sat. Mar 30, 2024 3:30 PM - 5:30 PM [Room 502] Conference Center 502 (5F)

Organizer: Midori Arai (Fac. Sci. Tech., Keio Univ.), Hiroaki Itoh (Grad. Sch. Pharm. Sci., U. Tokyo)

The discovery and identification of biologically active molecules by utilizing two compound resources: natural products (first) and synthetic compound libraries (second) has become the driving force for promoting chemical biology research. In this symposium, we will discuss Latent Chemical Space as the third resource following these two. This Latent Chemical Space, proposed in the Transformative Research Areas (A) "Latent Chemical Space Based on Diverse Natural Products for Bio-active Molecular Design," is created virtually using deep learning technology based on biological activity data of natural products, and is realized in real space using robust organic synthesis. The Latent Chemical Space created by the fusion of natural products and informatics research will bring about a paradigm shift in data-driven chemical biology research and revolutionize the design of biologically active molecules. We will present and discuss the results of related research that we have started with the aim of designing biologically active molecules by integrating AI technology, chemical biology, and organic synthesis.