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Distribution Regression on VDss Lombardo (train-test)

20.26RMSEMolFormer
20.242420.361220.4820.5988Jun 22, 2026

Evaluation results

MethodLinks
MolFormerPooling=Max2026.0620.26
SAEPooling=Max2026.0620.32
SAEPooling=Mean2026.0620.34
PcDsDescription=Physicochemical descriptors2026.0620.44
MolFormerPooling=Mean2026.0620.44
ECFPRadius=42026.0620.54
ECFPRadius=22026.0620.55
ECFPRadius=02026.0620.7