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Benchmarks
Bioactive Hit Diversification on Lit-PCBA (out-of-distribution)
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4
Validity Score
ShePHERD
0.984
1.767
2.55
3.333
Jul 1, 2026
Validity Score
Average Hits
Average Unique Scaffold Hits
Maximum Score
Synthesizable Hits Count
Updated 23d ago
Evaluation Results
Method
Method
Links
Validity Score
Average Hits
Average Unique Scaffold Hits
Maximum Score
Synthesizable Hits Count
ShePHERD
Ranking scheme=Joint r...
2026.07
4
2.6
2.2
3.1
2.3
REINVENT
Ranking scheme=Joint r...
2026.07
1.2
2.1
3
1.7
2.1
SynLaD
Ranking scheme=Joint r...
2026.07
1.1
2.1
1.9
2.2
2
SynFormer
Ranking scheme=Joint r...
2026.07
1.1
2.2
1.9
2
2.1
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