Host: The Japanese Society of Toxicology
Since there are still many compounds terminated due to safety concerns in preclinical and clinical studies, compound evaluation and design with safety perspective are strongly needed at the early-stage of drug discovery. We have developed in vitro tiered screening strategy and provided two types of computational support for the purpose. One is a prediction by QSAR models and the other is a structural modification based on matched molecular pair DB, which were built by the large amount of screening data. In this presentation, I would like to introduce the approaches.
