Nontest Methods to Predict Acute Toxicity: State of the Art for Applications of In Silico Methods
Keywords: acute toxicity, endpoints, in silico methods, quantitative structure–activity relationship (QSAR), REACH, read-acrossSoftware: ADMET Predictor®Publication: Computational Toxicology
Abstract
The assessment of acute toxicity of chemicals by in silico methods is actually done by two methodologies, read-across and QSAR. The two approaches are strongly based on the similarity between the chemical for which a risk assessment is required and the reference chemical(s) for which the experimental data are known. Here, we describe the two methodologies with some main publications as illustrations and the in silico data associated with acute toxicity endpoints (ECHA, REACH) accessible via eChemPortal.
