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Bioactive hit diversification on LIT-PCBA
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100
Validity
SynFormer
46.96
60.73
74.5
88.27
Jul 1, 2026
Validity
Avg Hits
Avg Unique Scaffold Hits
Max Score
AiZynth Score
Num Queries w/ >=1 Hit
Avg Synthesizable Hits
Updated 23d ago
Evaluation Results
Method
Method
Links
Validity
Avg Hits
Avg Unique Scaffold Hits
Max Score
AiZynth Score
Num Queries w/ >=1 Hit
Avg Synthesizable Hits
SynFormer
Amortized=true
2026.07
100
13.8
6.7
1.31
50
8
6.7
SynLaD (syn out)
Amortized=true
2026.07
100
17.9
6.9
1.3
75
5
14.6
REINVENT
Amortized=false
2026.07
98
21.1
3.7
1.15
75
3
16.3
ShEPhERD
Amortized=true
2026.07
55
15.7
13
1.23
18
6
6.3
SynLaD (3D out)
Amortized=true
2026.07
49
38.1
18.8
1.45
22
8
12.7
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