Current Status and Future Challenges in Molecular Design for Reduced Hazard

Synthetic chemicals and materials are the basis of our society and our economy. Yet, in spite of all the advances in toxicology that have helped us understand and even predict toxicity associated with industrial chemicals, fundamental scientific questions crucial to the development of safer chemicals are left unanswered. Alternative strategies, such as in silico toxicity predictions, are considered the next frontier in molecular design for reduced hazard; however, such strategies are still not sufficiently developed to meet existing needs. Design strategies need to incorporate information and data at the nexus of multiple disciplines. Critically, there is a need for the incorporation of toxicology into the design phase of the molecular design process. In this Feature, we discuss the current status and future challenges in molecular design for reduced hazard.