The application of artificial intelligence (AI) to chemistry has grown tremendously in recent
years. In this Review, we studied the growth and distribution of AI-related chemistry …

Median lethal death, LD50, is a general indicator of compound acute oral toxicity (AOT).
Various in silico methods were developed for AOT prediction to reduce costs and time. In …

In this review, we present the applications of chemometric techniques for green and
sustainable chemistry. The techniques, such as cluster analysis, principal component …

This work aimed to predict the normal boiling point temperature (Tb) and relative liquid
density (d20) of petroleum fractions and pure hydrocarbons, through a multi-layer …

The critical temperature is an important parameter in the design and selection of binary
organic mixtures. Rapid and accurate prediction has been a focus of research. Strong …

Despite their indisputable importance around the world, the pesticides can be dangerous for
a range of species of ecological importance such as honeybees (Apis mellifera L.). Thus, a …

Ciprofloxacin is a widely used antibiotic that is also a persistent contamination that causes
major health and environmental risks. This study investigated the electrochemical removal of …

The performance of seawater hybrid NF/RO desalination plant including permeate
conductivity; permeate flow rate and permeate recovery. Under different feed parameters …

The aim of this study was to devise a model that predicts the inhibition zone diameter using
artificial neural networks. The concentration, temperature and the exposure time of our …

Quantitative structure–property relationship (QSPR) modeling was investigated to predict
drug and drug‐like compounds solubility in supercritical carbon dioxide. A dataset of 148 …