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 |
---|---|---|---|---|---|---|---|---|---|---|
36ovr | Sergei Grudinin | Grudinin | 19 | 0.18 | 0.17 | 0.27 | 0.23 | convex-pl | openbabel 2.3.2, rdkit 2017.03.3 for 3d coordinates generation; autodock vina and convex-pl for pose prediction, knodle for parametrization of small molecules | structure-based scoring |