QSPR models to predict the physical hazards of mixtures: a state of art

This study proposes a state of the art of existing QSPR models specifically dedicated to the prediction of the physical hazards of mixtures. Identified models have been analysed on the key elements of model development (experimental data and fields of application, descriptors used, development and validation methods). It draws up an overview of the potential and limitations of current models as well as areas of progress towards enlarged deployment as a complement to experimental characterizations, for example in the search for safer substances (according to safety-by-design concepts).PMID:37706255 | DOI:10.1080/1062936X.2023.2253150
Source: SAR and QSAR in Environmental Research - Category: Environmental Health Authors: Source Type: research