TEST421

The Toxicity Estimation Software Tool (TEST) was developed to allow users to easily estimate the toxicity of chemicals using Quantitative Structure Activity Relationships (QSARs) methodologies.

QSARs are mathematical models used to predict measures of toxicity from the physical characteristics of the structure of chemicals (known as molecular descriptors). Simple QSAR models calculate the toxicity of chemicals using a simple linear function of molecular descriptors: Toxicity = ax1 + bx2 + c. Where x1 and x2 are the independent descriptor variables and a, b, and c are fitted parameters.