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Table 3 Success rates (%) for the evaluation of ranking power ranked by high-level results on optimized structures

From: DLIGAND2: an improved knowledge-based energy function for protein–ligand interactions using the distance-scaled, finite, ideal-gas reference state

Score function Success rates (%) on crystal structures Success rates (%) on optimized structures
High-level Low-level High-level Low-level
X-ScoreHM 58.5 72.3 56.9 73.8
ChemScore@SYBYL 53.8 67.7 52.3 69.2
D-Score@SYBYL 49.2 63.1 52.3 63.1
LigScore1@DS 52.3 61.5 50.8 63.1
ΔSAS 49.2 67.7 50.8 69.2
DLIGAND2 50.8 63.1 49.2 64.6
PLP2@DS 55.4 72.3 47.7 67.7
Alpha-HB@MOE 52.3 66.2 47.7 64.6
ChemPLP@GOLD 58.5 72.3 46.2 61.5
G-Score@SYBYL 52.3 72.3 46.2 61.5
DLIGAND 49.2 63.1 46.2 64.6
PMF@DS 49.2 66.2 46.2 63.1
LUDI1@DS 52.3 69.2 44.6 66.2
Jain@DS 41.5 58.5 44.6 63.1
GoldScore@GOLD 55.4 76.9 43.1 66.2
ASE@MOE 40 64.6 43.1 63.1
London-dG@MOE 43.1 60 40 60
ASP@GOLD 47.7 72.3 38.5 60
Affinity-dG@MOE 53.8 66.2 36.9 50.8
ChemScore@GOLD 46.2 63.1 33.8 53.8
GlideScore-XP 35.4 47.7 32.3 46.2
PMF@SYBYL 43.1 61.5 30.8 53.8
GlideScore-SP 43.1 56.9 21.5 38.5
  1. Results (excluding DLIGAND2 and DIGAND) cited from Li [5]