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Benchmarks
Structure-Conditioned Molecular Design on LIT-PCBA 15 targets
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68
Affinity Probability
MCLM (ligand)
44.08
50.29
56.5
62.71
Apr 21, 2026
Affinity Probability
Predicted pIC50
Shape Similarity
Chemical Similarity
Diversity
Updated 1mo ago
Evaluation Results
Method
Method
Links
Affinity Probability
Predicted pIC50
Shape Similarity
Chemical Similarity
Diversity
MCLM (ligand)
Method category=Genera...
2026.04
68
6.31
57
38
54
CLIPP-SET (ligand)
Method category=Search...
2026.04
55
5.69
51
19
74
Morgan FP
Method category=Search
2026.04
50
5.45
49
36
59
MCLM (pocket)
Method category=Genera...
2026.04
46
5.89
37
11
81
CLIPP-SET (pocket)
Method category=Search...
2026.04
45
5.71
40
11
79
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