Generate Small Molecules
SAR Analysis
Spencer M. Free and James W. Wilson et. al
Generate small molecules
Schneuing et. al
Sneuing et. al
REINVENT4: de novo design, molecule optimization, scaffold decoration, linker design, peptide design, scoring, and finetuning with multi-stage RL
Loeffler et. al
Given a scaffold, decorate it to generate molecules
Fialkova V et. al
Zang et. al