The aquatic ecosystem is the final destination of most industrial residues and agrochemicals
resulting in organisms being exposed to a complex mixture of contaminants. Nanomaterials …

Investigative toxicology tools and strategies are used in pharmaceutical companies to
reduce safety-related attrition in drug development. This Perspective article summarizes the …

Uncertainty quantification (UQ) has increasing importance in the building of robust high-
performance and generalizable materials property prediction models. It can also be used in …

Mistrust is a major barrier to implementing deep learning in healthcare settings. Entrustment
could be earned by conveying model certainty, or the probability that a given model output is …

Drug discovery is a crucial part of human healthcare and has dramatically benefited human
lifespan and life quality in recent centuries, however, it is usually time-and effort-consuming …

Background Exposure to environmental chemicals that interfere with normal estrogen
function can lead to adverse health effects, including cancer. High-throughput screening …

In silico approaches have been studied intensively to assess the toxicological risk of various
chemical compounds as alternatives to traditional in vivo animal tests. Among these …

Background: The lengthy and expensive process of developing a novel medicine often takes
many years and entails a significant financial burden due to its poor success rate …

Lignin-modifying enzymes (LMEs) are impactful biocatalysts in environmental remediation
applications. However, LMEs-assisted experimental degradation neglects the molecular …

The role of computational tools in the drug discovery and development process is becoming
central, thanks to the possibility to analyze large amounts of data. The high throughput and …