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 |
|---|---|---|---|---|---|---|---|---|---|---|
| gucav | Dima Kozakov | Dima kozakov | 152 | -0.21 | 0.06 | -0.3 | 0.08 | gradientboostingregressor | rdkit, sklearn |