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Single-objective binding affinity optimization on ESR1

0.004Lowest KD (1st)LPT-SGDS
-14.9158485.79308186.502287.21092Oct 5, 2023

Evaluation results

MethodLinks
LPT-SGDS2023.100.0040.0050.014
LEBM-SGDS2023.100.030.030.04
LIMO2023.100.720.891.4
GCPN2023.106.46.68.5
GraphDF2023.10176469
MARS2023.10254751
MolDQN2023.103735881,062