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Table 4 Pair-wise correlation values for 11 energy-based descriptors with respect to Ki values

From: Ki DoQ: using docking based energy scores to develop ligand based model for predicting antibacterials

 

E FreeBind

E InterMol

E VHD

E Elec

E MLFR

E MLMR

E FTot

E IntL

E IntR

E Tors

E Unb

R

(-)0.66

(-)0.53

(-)0.45

(-)0.44

(-)0.63

0.15

0.20

(-)0.01

0.59

(-)0.075

0.001

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BMC Bioinformatics

ISSN: 1471-2105

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