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Table 1 The 16 conventional scoring functions and the molecular docking software in which they are implemented

From: BgN-Score and BsN-Score: Bagging and boosting based ensemble neural networks scoring functions for accurate binding affinity prediction of protein-ligand complexes

Scoring function (SF)

Software

Type of SF

Reference

Jain

Discovery Studio

Empirical

[37]

LigScore

 

Knowledge based

[38]

Ludi

 

Empirical

[39]

PLP

 

Empirical

[40]

PMF

 

Knowledge based

[41]

ChemScore

SYBYL

Empirical

[24]

D-Score

 

Force-field based

[11]

G-Score

 

Force-field based

[32]

F-Score

 

Empirical

[42]

PMF-Score1

 

Knowledge based

[41]

ASP

GOLD

Empirical

[43]

ChemScore2

 

Empirical

[24]

GoldScore3

 

Force-field based

[32]

GlideScore

Glide

Empirical

[44]

DrugScore

Standalone

Knowledge based

[45]

X-Score

Standalone

Empirical

[12]

  1. 1 SYBYL's implementation of PMF
  2. 2 GOLD's implementation of ChemScore
  3. 3 GOLD's implementation of G-Score