Design of Thymidine Analogues Targeting Thymidilate Kinase of Mycobacterium tuberculosis

Table 5

Output parameters of the 10 generated PH4 Hypotheses after CatScramble validation procedure for TMPKmt inhibitors listing RMSD, total cost and R correlation coefficient.

Hypothesis	RMSD	R	Total costs
Hypo1	1.126	0.964	55.1
Hypo2	1.207	0.958	57.1
Hypo3	1.477	0.936	61.1
Hypo4	1.802	0.904	68.7
Hypo5	1.831	0.901	69.7
Hypo6	1.941	0.888	72.3
Hypo7	1.975	0.883	73.7
Hypo8	2.016	0.878	74.4
Hypo9	2.023	0.877	75.2
Hypo10	2.036	0.876	75.2
Fixed cost	0	1.0	45.9
Null cost	4.213	0	157.4