Using a hybrid read-across method to evaluate chemical toxicity based on chemical structure and biological data.

ABSTRACT: Read-across has become a primary approach to fill data gaps for chemical safety assessments. Chemical similarity based on structure, reactivity, and physic-chemical property information is a traditional approach applied for read-across toxicity studies. However, toxicity mechanisms are usually complicated in a biological system, so only using chemical similarity to perform the read-across for new compounds was not satisfactory for most toxicity endpoints, especially when the chemically similar compounds show dissimilar toxicities. This study aims to develop an enhanced read-across method for chemical toxicity predictions. To this end, we used two large toxicity datasets for read-across purposes. One consists of 3979 compounds with Ames mutagenicity data, and the other contains 7332 compoun

SUBMITTER: Guo Y 

PROVIDER: S-EPMC6508079 | biostudies-literature | 2019 Aug

REPOSITORIES: biostudies-literature