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. 2010 Nov 17;20(8):1385–1393. doi: 10.1007/s00044-010-9487-y

Table 5.

Values of the cross-validated root-mean-square error RMSECV test

QSAR model for dependent variable RMSECV test
Leave-one-out method Leave-ten-out method
1a 2 3 4 1 2 3 4
ΔT m 3.36 2.53 2.56 2.39 3.44 2.63 2.64 2.41
ILS 53.39 42.10 28.48 22.79 54.23 42.35 28.74 22.27

a1–4 represents RMSECV test performed only for one, combined two and three, and for all the four significance descriptors in QSAR models, respectively. In the case of QSAR model, for ΔT m as dependent-variable values, 1–4 were obtained for only GATS7e, GATS7e combined with μi, GATS7e combined with μi and H-047, GATS7e combined with μi, H-047, and Mp descriptors. In the case of QSAR model for ILS as dependent-variable values, 1–4 were obtained for only G3m, G3m combined with logP, G3m combined with logP and G2p, and G3m combined with logP, G2p and G3p descriptors