As defined by the European Commission, a nanomaterial is a natural, an incidental, or a
manufactured material containing particles in an unbound state or as an aggregate or …

Coupled electrochemical systems for the direct capture and conversion of CO 2 have
garnered significant attention owing to their potential to enhance energy-and cost-efficiency …

Although historically materials discovery has been driven by a laborious trial-and-error
process, knowledge-driven materials design can now be enabled by the rational …

Quantitative structure–activity relationship modeling is one of the major computational tools
employed in medicinal chemistry. However, throughout its entire history it has drawn both …

Background: Humans are exposed to tens of thousands of chemical substances that need to
be assessed for their potential toxicity. Acute systemic toxicity testing serves as the basis for …

Background: Humans are exposed to thousands of man-made chemicals in the
environment. Some chemicals mimic natural endocrine hormones and, thus, have the …

There is a growing public concern about the lack of reproducibility of experimental data
published in peer-reviewed scientific literature. Herein, we review the most recent alerts …

Abstract The Online Chemical Modeling Environment is a web-based platform that aims to
automate and simplify the typical steps required for QSAR modeling. The platform consists of …

Evaluation of biological effects, both desired and undesired, caused by manufactured
nanoparticles (MNPs) is of critical importance for nanotechnology. Experimental studies …

The estimation of the accuracy of predictions is a critical problem in QSAR modeling. The
“distance to model” can be defined as a metric that defines the similarity between the …