This review presents the developments in artificial intelligence technologies for
environmental pollution controls. A number of AI approaches, which start with the reliable …

One of the main goals of in silico Caco-2 cell permeability models is to identify those drug
substances with high intestinal absorption in human (HIA). For more than a decade, several …

In this work, we present a novel computational design strategy for coatings, specifically
focusing on the compatibility of silicone elastomer coatings modified with silicone oils. We …

In recent years, alternative animal testing methods such as computational and machine
learning approaches have become increasingly crucial for toxicity testing. However, the …

The random forest (RF) algorithm, together with ten Dragon descriptors, was used to
develop a quantitative structure–toxicity/activity relationship (QSTR/QSAR) model for a …

Neonicotinoid insecticides (NNIs) are a new class of widely used insecticides with certain
risks to non-target organisms, like earthworms. The gray correlation method was used to …

The need to solvate and encapsulate hydro-sensitive molecules drives noticeable trends in
the applications of cyclodextrins in the pharmaceutical industry, in foods, polymers …

Six Co (II)-based coordination polymers (CPs) with characteristic frameworks and topologies—
namely,[Co (L1)(DCTP)] n (1),[Co (L2)(DCTP)] n (2),[Co (L3)(DCTP)] n (3),{[Co3 (L4) 3 …

Tadpoles, as early developmental stages of frogs, are vital indicators of toxicity and
environmental health in ecosystems exposed to harmful organic compounds from industrial …

ABSTRACT A series of diverse organic compounds impose serious detrimental effects on
the health of living organisms and the environment. Determination of the structural aspects …