The reliability of any quantitative structure–activity relationship (QSAR) model depends on
multiple aspects such as the accuracy of the input dataset, selection of significant …

Quantitative structure–activity relationship (QSAR) models have long been used for making
predictions and data gap filling in diverse fields including medicinal chemistry, predictive …

Ionic liquids (ILs) constitute a large group of chemical compounds. They have gained much
attention among scientists and industry due to their unique properties. Due to the fact that ILs …

Organic compounds (OCs) constitute an enormously large class of highly persistent and
toxic chemicals widely used for various purposes throughout the world. Their increased …

Acute oral toxicity is currently not available for most polycyclic aromatic hydrocarbons
(PAHs), especially their derivatives, because it is cost-prohibitive to experimentally …

The liposome/water partition coefficient (K lip/w) is a key parameter to evaluate the
bioaccumulation potential of pollutants. Considering that it is difficult to determine the K lip/w …

Predicting the logarithm of hexadecane/air partition coefficient (L) for organic compounds is
crucial for understanding the environmental behavior and fate of organic compounds and …

GRK5 holds a pivotal role in cellular signaling pathways, with its overexpression in
cardiomyocytes, neuronal cells, and tumor cells strongly associated with various chronic …

Octanol-water partition coefficient (logK ow) and soil organic carbon content normalized
sorption coefficient (logK oc) values are two important physicochemical properties in the …

Nanoparticles (NPs) are considered as versatile tools in various fields including medicine,
electronics, and environmental science. Understanding the structural aspects of surface …