Table 1 Statistics for the DG-AMMOS, Balloon and Omega run on 48538 small molecules from the ADME-Tox filtered DIVERSet™ Database.
Success | No. compounds Success (% of total database) | No. compounds Failure/(energy range in kcal/mol) | Time (s) | Time/compound (s) |
|---|---|---|---|---|
DG-AMMOS | 47468 (97.8%) | 1074/(400 - 36230) | 29739 | 0.61 |
Balloon | 45623 (94.9%) | 2915/(400-45944183) | 79200 | 1.64 |
Omega | 48023 (98.9%) | 515 | 9481 | 0.20 |