TB-IECS: an accurate machine learning-based scoring function for virtual screening

Table 5 New theory-based feature combination

Combination	VdW	Hbond	Elec	Hydrophobic	Entropy	Clash
Chemplp_smina_nn_smo	Smina	ChemPLP	NNScore	Smina	SMoG2016	ChemPLP
Smina_nn	Smina, NNScore	Smina, NNScore	Smina, NNScore	Smina, NNScore	Smina	–

VdW, Hbond, and Elec represent the Van der Waals interaction, the hydrogen bond interaction, and the Coulomb potential, respectively

ISSN: 1758-2946