Dataset: NA
Key Value Description Download
Target NA gene id ###
Name Neuraminidase A protein name ###
Super-family Hydrolase protein class ###
PDB ID 1a4g the protein structure in TocoDDB click here
Pocket (x, y, z) -2.95, 56.09, -9.33 the center coordinate of the protein pocket click here
Actives 40 the number of active ligands ###
Topology decoys 2021 the number pf topology decoys click here
Conformation decoys 1483 the number of decoy conformations click here
Decoys 3504 the number of total decoys ###
Total 3544 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 344 0 0 4 1.000 87.000 87.000 20.471 1.000 1.000 1.260