Conceptcomputational toxicology
Computational Toxicology
A discipline that uses computational methods and models to predict biological activity endpoints such as compound toxicity. It originated in structure-activity relationship research, and its modern form centers on quantitative structure-activity relationships (QSAR) and machine learning models.
Timeline (last 90 days)
Oct 19
The modern form of computational toxicology, the quantitative structure-activity relationship (QSAR) model, predicts biological activity endpoints such as toxicity through molecular structure descriptors of compounds.
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