Table 4 Bounding box definitions of domain of applicability for models for estimating the Gibbs energy of sublimation.

From: Predicting the Enthalpy and Gibbs Energy of Sublimation by QSPR Modeling

Descriptor Minimum Maximum
Hy −6.5 × 10−4 2.1
V 49.5 460.7
PSA 0 270.1
FPSA 3 0 9.9 × 10−2
R fused 0 9
Zwit 0 1
SA 29.0 505.7
(νσ2tot)0.5 4.3 × 10−1 10.5
RDCHI 1.2 4.4
nROH 0 3
TPSA 0 92.4
ZM1 6 216
X1sol 1.4 16.9
VRv1 3.7 260.8