. Author manuscript; available in PMC: 2020 Jul 2.

Published in final edited form as: Tuberculosis (Edinb). 2017 Nov 22;108:155–162. doi: 10.1016/j.tube.2017.11.007

Table 3.

Spearman Correlation Coefficients between the proposed models’ outputs and MIC value. $A_{S}^{1}$ , $A_{S}^{2}$ , and $A_{S}^{3}$ represent the cross-sectional areas of the openings of channels 1, 2, and 3, on the surface of the 3-D protein structure, respectively.

Model	ρ_s	Model	ρ_s	Model	ρ_s	Model	ρ_s
(1) $A_{S}^{1}$	−0.64	(4) $A_{h}^{2}$	−0.72	(7) ^{$A_{min}^{2} + A_{min}^{3} + A_{min}^{1}$}	+ 0.57	(10) $A_{S}^{2} - A_{S}^{1}$	−0.51
(2) $A_{S}^{2}$	−0.82	(5) $A_{min}^{2}$	−0.72	(8) $A_{h}^{2} + A_{h}^{3} - A_{h}^{1}$	+ 0.38	(11) $A_{S}^{3} - A_{S}^{1}$	+0.09
(3) $A_{S}^{3}$	−0.73	(6) $A_{S}^{2} + A_{S}^{3} - A_{S}^{1}$	−0.86	(9) $A_{S}^{2} + A_{S}^{3} + A_{S}^{1}$	− 0.75	(12) $A_{S}^{2} + A_{S}^{3}$	−0.81