GC4 Affinity Predictions - BACE (Stage 1A)

Grand Challenge 4 - Affinity Predictions - BACE (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
drpb0 Jonathan BohmannMedicinal 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 structure_based_scoring
mrx7r Jonathan BohmannMedicinal 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 structure_based_scoring
j3o1s Ye ZouHo-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 structure_based_scoring