AMES
Benchmarks
TaskDatasetSOTA resultTrendResults
ames (test)
26.5Fidelity F1
32
AMES
0.886ROC-AUC
18
Ames Therapeutics Data Commons
99.87AUPRC (R<0.2)
14
AMES
4.6MAD
12
AMES 7,255 drugs
86.87AUC
12
AMES
3.12Scaffold Ability (SA)
9
Ames (Leave-one-out cluster)
95.52AUPRC (R<0.2)
6
AMES
-8.3Delta ID Churn
5
AMES (id-test)
-1.11Delta Sym-KL
5
AMES id (test)
49Jaccard Similarity
3
AMES
0.99R500
3
AMES Y=1 (Scaffold Splitting)
85Coverage
3
AMES Y=0 (Scaffold Splitting)
89Coverage
3
AMES Y=1 (Fingerprint Splitting)
90Coverage
3
AMES Y=0 (Fingerprint Splitting)
100Coverage
3
AMES (Y=1) Scaffold (alpha=0.2)
0.77Coverage
3
AMES (Y=0) Scaffold split (alpha=0.2)
80Coverage
3
AMES (Y=1) Scaffold split (alpha=0.05)
91Coverage
3
AMES (Y=0) Scaffold split (alpha=0.05)
93Coverage
3
AMES (Y=1) Fingerprint (alpha=0.2)
82Coverage
3
AMES (Y=0) Fingerprint split (alpha=0.2)
100Coverage
3
AMES (Y=1) Fingerprint split (alpha=0.05)
95Coverage
3
AMES (Y=0) Fingerprint split (alpha=0.05)
100Coverage
3