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Molecular Design


The basis of our society and economy are synthetic chemicals and materials.  While there have been significant advances in toxicology associated with identifying, and in some instances predicting, industrial chemicals that are likely to cause harm to human and ecosystem health, the gains in informing the a priori design of chemicals with reduced hazard to humans and the environment have been elusive.  To realize the goal of designing chemicals that are safe and functionally relevant, there is a need to create an interdisciplinary body of knowledge that sits at the nexus of computational chemistry, mechanistic toxicology, and big data analytics among others.  It is only when we change the inherent nature of the chemicals and materials that are foundational to quality of life that we can truly advance towards a sustainable future that is no longer reliant on costly regulatory and technological controls of circumstances in which hazardous chemicals can be used and managed.

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