Nowadays, organic chemicals play an essential role in almost all walks of life and have
become indispensable to modern society. However, the continually synthesized chemicals …

Due to the lack of experimental toxicity data for environmental chemicals, there arises a
need to fill data gaps by in silico approaches. One of the most commonly used in silico …

Human soluble epoxide hydrolase (sEH), a dual-functioning homodimeric enzyme with
hydrolase and phosphatase activities, is known for its pivotal role in the hydrolysis of …

Accurate prediction of parameters related to the environmental exposure of chemicals is
crucial for the sound management of chemicals. However, the lack of large data sets for …

Abstract Influenza A Virus (IAV) is a human respiratory pathogen prone to mutations and
genome re-assortment leading to global pandemics. In this study, we applied the molecular …

Two quantitative structure–property relationship (QSPR) models of hindered phenolic
antioxidants in lubricating oils were established to help guide the molecular structure design …

Background: The abundance of circulating monocytes is closely associated with the
development of atherosclerosis in humans. Objective: This study aimed to further research …

The dielectric constant (ε) reflects the ability of a material to align and orient electrical
dipoles within its structure in response to an externally applied electric field; the greater the …

QSAR modeling is a methodology used in various scientific fields to correlate molecular
descriptors to the properties or biological activities of compounds of interest. Several steps …