Design of Thymidine Analogues Targeting Thymidilate Kinase of Mycobacterium tuberculosis

Table 3

Statistical information on regression analysis of correlation for the training set between ΔΔ𝐺_comp and experimental activities (𝑝𝐾_𝑖) respectively against TMPKmt.

𝑝𝐾𝑖=−0.2924ΔΔ𝐺 comp + 3.234
Statistical data of regression analysis	ΔΔ𝐺 comp
Number of compounds 𝑛	15
Squared correlation coefficient of regression 𝑅^2	0.944
LOO cross-validated squared correlation coefficient 𝑅^2XV	0.939
Standard error of the regression 𝜎	0.184
Statistical significance of regression, Fisher F-test F	218.3
Level of statistical significance 𝛼	>95%
Range of activity of 𝐾𝑖 (μM)	5–1900