HIV
Benchmarks
TaskDatasetSOTA resultTrendResults
HIV SMolInstruct
97.56Accuracy
11
HIV
0.836DQS
11
HIV (test)
73.54Accuracy
10
HIV scaffold (test)
0.788ROC AUC
10
HIV MoleculeNet (test)
0.796AUC
10
HIV
78.94AUC
9
HIV MoleculeNet (random train val test)
0.832ROC-AUC
9
UCI HIV (80%:20%)
5.9Classification Error
9
HIV Prediction
94Accuracy
7
HIV
100Sensitivity
7
HIV MoleculeNet (test)
100Validity
7
HIV scaffold-split MoleculeNet (test)
68.9ROC AUC
7
HIV
78.28ROC-AUC
7
HIV (5-fold cross-val)
17.16Representation Construction Time (s)
7
HIV
97Accuracy@0.5
6
HIV UCI (test)
0.745Avg Test Log-likelihood
5
HIV
0.588Property Score
5
HIV (independent)
91.93Accuracy
3
HIV (Y=1) (Scaffold Splitting)
90Coverage
3
HIV Y=0 (Scaffold Splitting)
91Coverage
3
HIV Y=1 Fingerprint Splitting
95Coverage
3
HIV Y=0 (Fingerprint Splitting)
93Coverage
3
HIV (Y=1) Scaffold split (alpha=0.2)
81Coverage
3
HIV (Y=0) Scaffold split (alpha=0.2)
81Coverage
3
HIV (Y=1) Scaffold split (alpha=0.05)
95Coverage
3