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 |
