Dataset: TP
Key Value Description Download
Target TP gene id ###
Name Thymidine Phosphorylase protein name ###
Super-family Transferase protein class ###
PDB ID 1uou the protein structure in TocoDDB click here
Pocket (x, y, z) -3.76, 1.72, 28.47 the center coordinate of the protein pocket click here
Actives 40 the number of active ligands ###
Topology decoys 2032 the number pf topology decoys click here
Conformation decoys 1197 the number of decoy conformations click here
Decoys 3229 the number of total decoys ###
Total 3269 the size of TocoDDB click here
Source DEKOIS the source of active ligands ###
Benchmark
Scoring Function TN FP FN TP F1 Score EF0.5% EF1% EF5% ROAUC PRAUC BedROC
InteractionGraphNet 276 4 2 1 0.250 94.333 47.167 13.476 0.975 0.454 0.681