Open access
Aug 2026
Generalizing molecular design via flexible search space control
ChemTSv3 is introduced, an exploration framework with a flexible architecture that accommodates diverse design scenarios for adaptive molecular design, and shows that this flexibility enables efficient exploration across diverse design spaces, from drug-like small molecules to proteins.
Satoru Fujii, Yuki Murakami, Tatsuya Yoshizawa et al.
· Communications Chemistry · 2 citations