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Table 1 Datasets statistics

From: Improving protein-ligand binding site prediction accuracy by classification of inner pocket points using local features

Dataset Proteins Ligands #L #P FP #P CC Cov FP [%] Cov CC [%] LS PS FP PS CC
CHEN11 251 476 1.90 12.41 1.75 71.0 52.3 26.9 38.9 51.0
ASTEX 85 143 1.68 21.58 2.25 81.1 65.7 23.2 41.9 56.9
DT198 198 192 0.97 18.57 2.19 80.2 65.6 20.8 41.2 53.7
MP210 210 288 1.37 14.50 1.99 78.8 68.2 22.8 40.0 50.9
B48 48 54 1.13 12.06 1.96 92.6 81.5 21.9 37.8 44.2
U48 48 54 1.13 11.40 1.79 88.9 77.8 21.9 38.0 46.8
  1. Abbreviations: FP Fpocket, CC ConCavity.
  2. #L: average number of ligands for one protein.
  3. #P: average number of predicted pockets for one protein.
  4. Cov: total coverage – success rate considering all predicted pockets (measured by DCA criterion with 4 Å threshold).
  5. LS: average number of heavy atoms in a relevant ligands (ligand size).
  6. PS: average number of protein surface atoms that belong to a predicted pocket (pocket size).