Dataset: TS
Key Value Description Download
Target TS gene id ###
Name Thymidylate Synthase protein name ###
Super-family Transferase protein class ###
PDB ID 1i00 the protein structure in TocoDDB click here
Pocket (x, y, z) 34.55, 60.55, 51.15 the center coordinate of the protein pocket click here
Actives 40 the number of active ligands ###
Topology decoys 2002 the number pf topology decoys click here
Conformation decoys 1583 the number of decoy conformations click here
Decoys 3585 the number of total decoys ###
Total 3625 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 357 0 2 2 0.667 90.250 60.167 20.056 0.991 0.656 0.879