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Regression on PARP1 Inhibitors (fivefold cross val)

0.83MSERep3Net
0.82160.87830.9350.9917Nov 29, 2025

Evaluation results

MethodLinks
Rep3Netgraph representation=standard2025.110.830.910.690.430.660.67
GATgraph representation=standard2025.110.9910.780.320.570.59
MPNNgraph representation=standard2025.111.031.020.780.30.550.55
Weavegraph representation=standard2025.111.041.020.790.290.540.57
AttentiveFPgraph representation=standard2025.111.041.020.80.290.540.57