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MoA Classification on Cell-Phenotype de novo generated molecules (ECFP space)
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27.2
Top-1 Cluster Accuracy
PhAME
13.472
17.036
20.6
24.164
May 27, 2026
Top-1 Cluster Accuracy
MoA Retrieval Rate @1
MoA Retrieval Rate @2
MoA Retrieval Rate @3
kNN Accuracy @1
kNN Accuracy @3
kNN Accuracy @5
Updated 6d ago
Evaluation Results
Method
Method
Links
Top-1 Cluster Accuracy
MoA Retrieval Rate @1
MoA Retrieval Rate @2
MoA Retrieval Rate @3
kNN Accuracy @1
kNN Accuracy @3
kNN Accuracy @5
PhAME
Representation Space=ECFP
2026.05
27.2
23
40.4
56.2
20.6
21.2
23
GFlowNet
Representation Space=ECFP
2026.05
17
15.1
29
46.1
12.7
14.4
15.3
CPMolGAN
Representation Space=ECFP
2026.05
14.3
13.4
28.8
42
12.9
13.5
14.1
DGVAE
Representation Space=ECFP
2026.05
14
14.2
28.5
42.7
14.5
14.6
13.7
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