Based on quantum chemical descriptors, by the use of partial least squares regression,
quantitative structure-property relationship models for subcooled liquid vapor pressures (PL) …

A model developed to predict aqueous solubility at different temperatures has been
proposed based on quantitative structure–property relationships (QSPR) methodology. The …

Polychlorinated diphenyl ethers (PCDEs) have received more and more concerns as a
category of potential persistent organic pollutants (POPs). Modeling its environmental fate …

Quantitative structure–properties relationships (QSPR) models have been developed for
three characteristic properties of a series of 62 new glycerol derivatives, relevant to solvent …

Reliable prediction of lipophilicity in organic compounds involves molecular descriptors
determination. In this work, the lipophilicity of a set of twenty-three molecules has been …

Improved models for predicting viscosities at 20 C were generated using three different
methods for descriptor selection. Data set of 361 diverse organic molecules and their …

QSPR models for water solubility (S), n-octanol/water partition coefficient (K OW), and
Henry's law constant (H) for polychlorinated dibenzo-p-dioxins (PCDDs) and dibenzo-p …

The quantitative structure-property relationship (QSPR) study was performed between
descriptors representing the molecular structures and refractive indices for a set of 35 π …

Viscosity is directly affected by both temperature and pressure. Accordingly, model which
correlates dynamic viscosity of fatty acid methyl ester (FAME) and biodiesel to number of …

The relationship between the aqueous solubility of more than two thousand eight hundred
organic compounds and their structures was investigated using a QSPR approach based on …