GC4 Affinity Predictions - BACE (Stage 2)

Grand Challenge 4 - Affinity Predictions - BACE (Stage 2)

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
u867k Thomas EvangelidisThomas evangelidis 154 0.21 0.05 0.3 0.08 deepscaffopt_fcfpl_ecfpl_2dpp_nolossweights deepscaffopt ligand_based_scoring
zcwfq Thomas EvangelidisThomas evangelidis 154 0.21 0.05 0.31 0.08 deepscaffopt_onlyecfpl_nolossweights deepscaffopt ligand_based_scoring
cqnrg Thomas EvangelidisThomas evangelidis 154 0.16 0.06 0.23 0.08 deepscaffopt_onlyfcfpl_nolossweights deepscaffopt ligand_based_scoring
8dsky    154 0.22 0.06 0.32 0.08 qsar_machine_learning python/scikit-learn/rdkit/mordred/pandas/numpy/matplotlib ligand_based_scoring
zanor Alexandre BonvinAlexandre bonvin 154 0.2 0.05 0.29 0.08 bace-1 specific ligand-similarity based prediction chemminer, libsvm 3.21 ligand_based_scoring
py7r6 Thomas EvangelidisThomas evangelidis 154 0.13 0.06 0.19 0.08 deepscaffopt_only2dpp_nolossweights deepscaffopt ligand_based_scoring