A Simple and Readily Integratable Approach to Toxicity Prediction

A simple, highly extensible computational strategy to assess compound toxicity has been developed with the premise that a compound’s toxicity can be gauged from the toxicities of structurally similar compounds. Using a reference set of 13645 compounds with reported acute toxicity endpoint dose data (oral, rat-LD50┬ádata normalized in mg/kg), a generic utility which assigns a […]