Molecular Optimization
Benchmarks
DatasetSOTA methodMetricTrendResultsLast updated
21.17Sum AUC top-10
37
Mar 4, 2026
0.271Overall Optimization Score
13
Feb 26, 2026
0.98Albuterol Similarity
10
Jun 30, 2026
3.03Increased LogP
8
Jul 7, 2026
2.64Average Rank
8
Jun 9, 2026
5.37Improvement (%)
8
May 28, 2026
18.451Improvement (%)
8
May 28, 2026
12.42Aggregate Score (22 Tasks)
8
May 12, 2026
62.317Hit Ratio
8
Feb 26, 2026
41.74Hit Ratio
8
Feb 26, 2026
84.91Hit Ratio
8
Feb 26, 2026
28.667Hit Ratio
8
Feb 26, 2026
69.403Hit Ratio
8
Feb 26, 2026
30.41Success Rate (%)
7
May 12, 2026
36.76Success Rate
7
May 12, 2026
40Success Rate
7
May 12, 2026
0.486Amlodipine MPO Score
7
Apr 10, 2026
89Albuterol Similarity
7
Feb 26, 2026
0.242Median Score 1
7
Feb 26, 2026
39.5SOR
6
Apr 28, 2026
48.9SOR
6
Apr 28, 2026
373.3Novel Hit Ratio (parp1)
6
Feb 26, 2026
42.001Hit Ratio
5
Feb 26, 2026
2,163.7Hit Ratio
5
Feb 26, 2026
76.94Hit Ratio
5
Feb 26, 2026