Table 3 Combination of energy terms
From: TB-IECS: an accurate machine learning-based scoring function for virtual screening
Combination | VdW | Hbond | Elec | Hydrophobic | Entropy | Clash | Combination number |
|---|---|---|---|---|---|---|---|
Formula | GalaxyDo-ck BP2 Goldscore Smina | GalaxyDo-ck BP2 Goldscore Smina | GalaxyDo-ck BP2 NNScore | Chemscor-e Affiscore X-score Glide XP | SMoG20-16 Glide XP | Chemscor-e ChemPL-P | 288 |
Tree-sum | Glide SP | ChemPL-P | Autodock Glide XP | Glide XP Affiscore | Chemscor-e SMoG2016 | Chemscor-e ChemPL-P ASP | 24 |
Tree-mean | Smina | Smina | NNScore | Glide XP Smina | SMoG20-16 Glide XP | Chemscor-e ChemPL-P ASP | 12 |