This article considers current trends and challenges in qualitative analysis. The focus is not
on classification methods per se, but rather on their general features, such as the way the …

Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk
Assessment describes the historical evolution of quantitative structure-activity relationship …

The assessment of the classification performance can be based on class indices, such as
sensitivity, specificity and precision, which describe the classification results achieved on …

Because of the increasing demand of greener solvents, deep eutectic solvents (DES) have
just emerged as low-cost alternative solvents for a broad range of applications. However …

Mutagenicity is one of the most important end points of toxicity. Due to high cost and
laboriousness in experimental tests, it is necessary to develop robust in silico methods to …

QSAR/QSPR studies are aimed at developing correlation models using a response of
chemicals (activity/property) and chemical information data in a statistical approach. The …

Introduction: Phytochemicals have been the single most prolific source of leads for the
development of new drug entities from the dawn of the drug discovery. They cover a wide …

Drug‐induced liver injury (DILI) is a leading cause of acute liver failure in the US and less
severe liver injury worldwide. It is also one of the major reasons of drug withdrawal from the …

Nitroaromatic compounds (NACs) are an important type of environmental organic pollutants.
However, it is lack of sufficient information relating to their potential adverse effects on …

The toxic effect of eight metal oxide nanoparticles (MONPs) on Escherichia coli was
experimentally evaluated following standard bioassay protocols. The obtained cytotoxicity …