Table 3.
Top 10 submissions as ranked in order of decreasing Kendall’s tau for the affinity component of the challenge in Stages 1 and 2.
| stage 1 | ||||
|---|---|---|---|---|
| Kendall’s Tau | Software Used | Submitter Name | Group/PI Name | Receipt ID |
| 0.44 | AutoDock Vina | Olivier Bequignon | In silico Drug Design Master | g7q2q |
| 0.44 | AutoDock Vina | Doha Naga | In silico Drug Design Master | 87x7c |
| 0.44 | Ichem-GRIM, HYDE | Didier Rognan | Didier Rognan | 4ynsp |
| 0.43 | idock-RF-v3* | Ho Leung Ng | Ho Leung Ng | 6pcik |
| 0.43 | Smina | Matthew Baumgartner | David Evans | gzd7a |
| 0.43 | Glide, Gold, Amber-MMGBSA | Yuan Hu | Merck | 6xixa |
| 0.42 | Smina | Bentley Wingert | Carlos Camacho | 0kg1e |
| 0.41 | Glide | Ashutosh Kumar | Kam Y.J. Zhang | ttgw7 |
| 0.40 | Smina* | Matthew Baumgartner | David Evans | aaveo |
| 0.38 | Ichem-GRIM, HYDE | Didier Rognan | Didier Rognan | 2o6iv |
| Stage 2 | ||||
|---|---|---|---|---|
| Kendall’s Tau | Software Used | Submitter Name | Group/PI Name | Receipt ID |
| 0.46 | Smina | Bentley Wingert | Carlos Camacho | f2wjs |
| 0.44 | Rhodium HTS | Jonathan Bohmann | Pharm. & Bioeng. Dept. | 5zcmb |
| 0.44 | Smina | Bentley Wingert | Carlos Camacho | 7c2tp |
| 0.42 | Smina | Bentley Wingert | Carlos Camacho | fo0p4 |
| 0.41 | SeeSAR, HYDE, MMGBSA | Anonymous | Anonymous | dh2du |
| 0.39 | Vina | David Koes | David Koes | wfe3c |
| 0.38 | In-house QSAR script | Matthew Baumgartner | David Evans | naex2 |
| 0.38 | PRODIGY webserver | Alexandre Bonvin | Alexandre Bonvin | 0f7u7 |
| 0.37 | In-house QSAR script | Matthew Baumgartner | David Evans | hj31e |
| 0.36 | Smina | Bentley Wingert | Carlos Camacho | aewpt |