Legend
△ - Structure Based; ◯ - Ligand Based
Gray Fill - Manual Intervention
Orange Outline - Machine Learning
Legend
△ - Structure Based; ◯ - Ligand Based
Gray Fill - Manual Intervention
Orange Outline - Machine Learning
| Receipt ID | Submitter Name | PI/Group Name | Number of Ligands | Kendall's τ | Kendall's τ Error | Spearman's ρ | Spearman's ρ Error | Method Name | Software | Method Type |
|---|---|---|---|---|---|---|---|---|---|---|
| j3o1s | Ye Zou | Ho-leung ng | 150 | 0.11 | 0.06 | 0.16 | 0.08 | omega/smina-vinardo/rf-score | omega 3/datawarrior 4.7.3/smina version apr. 29, 2017 with vinardo scoring function/rf-score vs v2 | |
| drpb0 | Jonathan Bohmann | Medicinal and process chemistry | 153 | 0.15 | 0.05 | 0.21 | 0.08 | rhodium hts | accelerys discovery studio 2.0 pymol 1.2 rhodium 5.8 | |
| mrx7r | Jonathan Bohmann | Medicinal and process chemistry | 153 | 0.02 | 0.06 | 0.02 | 0.09 | rhodium hts | accelerys discovery studio 2.0 pymol 1.2 rhodium 5.8 |