Chemical predictive modelling encompasses empirical computational methods based on observed patterns in data that guide the design of future compounds. Simple physicochemical property-based guidelines ...

New articles developed in silico models for the estimation of potential mutagenicity of chemicals from their structure without the input of any other experimental data. Toxicologists use a large ...

In silico toxicology (IST), which is also denoted as computational toxicology, refers to the integration of modern computer technology with molecular biology to create a thorough risk assessment of ...

Toxicologists use a large number of tests to assess potential toxicity of chemicals to human and ecological health, a thorough analysis of one chemical requiring $2 to 4 million and a few years of ...