. Author manuscript; available in PMC: 2015 Jan 1.

Published in final edited form as: Bioorg Med Chem. 2013 Nov 8;22(1):538–549. doi: 10.1016/j.bmc.2013.10.053

Table 5.

Statistical results for MLR and NN10-2-1 models generated with the same descriptors and validated by leave-one–out validation

Set	r²	Rmsd	q²_test	loormsd
MLR	0.89	0.51	0.85	0.58
NN10-2-1	0.95	0.33	0.90	0.48