All properties of organic moleculessphysical, chemical, biological, and
technologicalsdepend on their chemical structure and vary with it in a systematic way. The …

Quantitative structure-activity relationships (QSARs) have important applications in drug
discovery research, environmental fate modeling, property prediction, etc. Validation has …

Quantitative structure–property relationship (QSPR) models are widely used for prediction of
properties, activities and/or toxicities of new chemicals. Validation strategies check the …

The corrosion inhibition efficiency of carbon steel was evaluated using fifteen molecules
derivated from imidazole and benzimidazole in 1.0 M HCl. The inhibition efficiency varies …

Four quantitative structure-activity relationships (QSAR) and quantitative structure-property
relationship (QSPR) data sets were selected from the literature and used to build regression …

It has been nearly 40 years since the quantitative structure-activity relationship (QSAR)
paradigm first found its way into the practice of agrochemistry, pharmaceutical chemistry …

Extant literature has increased our understanding of the multifaceted nature of digital
technologies; nevertheless, scholars and policymakers still strive to understand their …

Validation is an essential step of QSAR modeling, and it can be performed by both internal
validation techniques (eg, cross-validation, bootstrap) or by an external set of test objects …

In this research, new models are developed to estimate the three principal time-domain
parameters of seismic ground motion. A novel deep learning (DL) approach coupled with …

Abstract Knowledge of fire and explosion-related properties of substances including
flammability limits, minimum ignition energies, and flash points are critical in process safety …