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ResearchFormerly WizWand

Alkane Carbonyl

Benchmarks

TaskDatasetSOTA resultTrendResults

Graph Classification

Alkane-Carbonyl MultipleMotif (test)

94.4AUC-ROC

9

Graph Explanation

Alkane-Carbonyl

0.09Fid+

6

Alkane-Carbonyl

85.7SimOAR

5

Functional Group Detection

Alkane Carbonyl

0.124JSD

4