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
fzc8x    154 0.16 0.05 0.24 0.08 chembl/knime-rf knime ligand_based_scoring
xik76 Benjamin BrownJens meiler 154 0.22 0.06 0.32 0.08 bcl standard ann qsar bcl v3.5, corina v4.1.0 ligand_based_scoring
aurst Dima KozakovDima kozakov 154 0.11 0.05 0.17 0.08 gradientboostingregressor rdkit, sklearn ligand_based_scoring
vxcej Thomas EvangelidisThomas evangelidis 154 0.17 0.06 0.25 0.08 deepscaffopt_fcfp_ecfp_2dpp_rdk5 deepscaffopt ligand_based_scoring
ep83d Thomas EvangelidisThomas evangelidis 154 0.2 0.05 0.28 0.08 deepscaffopt_onlyfcfp deepscaffopt ligand_based_scoring
r6xwr Thomas EvangelidisThomas evangelidis 154 0.17 0.06 0.25 0.08 deepscaffopt_fcfp_ecfp deepscaffopt ligand_based_scoring
x073s Jamal ShamsaraJamal shamsara 154 0.25 0.05 0.36 0.07 qsar python2.7, scikit-learn, rdkit ligand_based_scoring
qbia3    154 0.23 0.05 0.33 0.07 neural network model / ecfp rdkit (2018.03.4), keras (2.2.2) ligand_based_scoring
y2fc4 Benjamin BrownJens meiler 154 0.21 0.05 0.3 0.08 bcl standard ann qsar bcl v3.5, corina v4.1.0 ligand_based_scoring
pzdop Thomas EvangelidisThomas evangelidis 154 0.16 0.06 0.23 0.08 deepscaffopt_onlyecfp deepscaffopt ligand_based_scoring