Table 2 Correlation values for molecular descriptors with pIC 5 0 value.
From: A web server for predicting inhibitors against bacterial target GlmU protein
WebCdk Descriptors | |||||||||
|---|---|---|---|---|---|---|---|---|---|
Descriptor | VCH-4 | Wlambda2.unity | |||||||
Correlation | -(0.50) | 0.36 | |||||||
Docking based energy descriptors | |||||||||
Descriptor | VdW + Hbond + desolv Energy | Moving Ligand-Moving Receptor | Internal Energy Receptor | Unbound System's Energy | |||||
Correlation | 0.17 | 0.26 | -(0.098) | -(0.008) | |||||
V-life descriptors | |||||||||
Descriptor | chi6chain | chi5chain | SsBrE-index | T_2_F_1 | T_N_F_7 | ||||
Correlation | 0.42 | -(0.54) | -(0.22) | 0.36 | 0.39 | ||||
Dragon descriptors | |||||||||
Descriptor | GATS4p | BELe1 | H8v | R1p+ | RTp+ | nAr-CONR2 | C-041 | H-049 | F-084 |
Correlation | 0.27 | 0.38 | 0.31 | -(0.55) | -(0.50) | 0.35 | -(0.13) | 0.16 | 0.36 |