GC3 Affinity Ranking - Cathepsin S (Stage 1A)

Grand Challenge 3 - Affinity Ranking - Cathepsin S (Stage 1A)

Kendall's τ

Spearman's ρ

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 GrudininGrudinin 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