SELFIES and the future of molecular string representations
SELFIES and the future of molecular string representations
Mario Krenn,Qianxiang Ai,28 Authors,A. Aspuru‐Guzik
2022 · DOI: 10.1016/j.patter.2022.100588
Patterns · 198 Citations
TLDR
16 concrete future projects for robust molecular representations involve the extension toward new chemical domains, exciting questions at the interface of AI and robust languages, and interpretability for both humans and machines are proposed.