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Molecular Generation on FA7 (Novel hit ratio)

585.3Novel Hit RatioChemBFN
-23.40472134.62439292.6535450.68261Dec 16, 2024Mar 4, 2025May 22, 2025Aug 9, 2025Oct 26, 2025Jan 13, 2026Apr 2, 2026

Evaluation results

MethodLinks
ChemBFNstrategy=strategy 4, sampling steps=1,000, format=SMILES, number of runs=52024.12585.3
ChemBFNstrategy=strategy 1, sampling steps=1,000, format=SMILES, number of runs=52024.12582.7
ChemBFNstrategy=strategy 2, sampling steps=1,000, format=SMILES, number of runs=52024.12556.7
ChemBFNstrategy=strategy 3, sampling steps=1,000, format=SMILES, number of runs=52024.12452
FREEDsampling steps=1,000, format=SMILES, number of runs=52024.12110.7
MOOD-S++2026.0490
MOODsampling steps=1,000, format=SMILES, number of runs=52024.1273.3
MOOD2026.0473.3
GDSSsampling steps=1,000, format=SMILES, number of runs=52024.1236.8
REINVENTsampling steps=1,000, format=SMILES, number of runs=52024.1221.3
SDG2025.071.156
FREED2025.071.107
SDG♢variant=Langevin2025.070.956
SDG♡2025.070.915
MOOD2025.070.733
MORLDsampling steps=1,000, format=SMILES, number of runs=52024.120.7
HierVAEsampling steps=1,000, format=SMILES, number of runs=52024.120.7
GDSS2025.070.368
SDG♣variant=Stein2025.070.299
HierVAE2025.070.007
MORLD2025.070.007