Biological properties of
are related to their structure
Quantitative structure-activity relationship (QSAR) models are models linking a property or effect, such as boiling point or toxicity, to parameters associated with chemical structure, such as certain molecular descriptors. They can be used to assess chemical substances within the so-called in silico approach (as an analogy to the in vitro and in vivo approach).
More information about QSAR models is available here.
Using the VEGA platform, you can access a series of QSAR models for regulatory purposes, or develop your own model for research purposes.