Parameters for the QSAR model developed for the I942 analogues^a.

	Training setbc	Test setd	Cross-validation (CV)	Threshold36,37
R 2	0.972 ± 0.008	0.929 ± 0.021	0.772 ± 0.055	R 2 > 0.600 and > 0.500 for CV
σ	27.69 ± 0.60	28.69 ± 2.40	—	—
RMSE	11.83 ± 1.81	19.09 ± 3.13	12.78 ± 1.50	RMSE < σ
k	0.972 ± 0.008	0.960 ± 0.090	—	0.850 ≤ k ≤ 1.150

^aStandard deviations were computed using data from eleven different partitioning of training vs. test sets.

^bNumber of molecules in the training set was 45.

^cNumber of descriptors were ≤9.

^dNumber of molecules in the test set was 11.