Identifying and designing chemicals with minimal acute aquatic toxicity.

ABSTRACT: Industrial ecology has revolutionized our understanding of material stocks and flows in our economy and society. For this important discipline to have even deeper impact, we must understand the inherent nature of these materials in terms of human health and the environment. This paper focuses on methods to design synthetic chemicals to reduce their intrinsic ability to cause adverse consequence to the biosphere. Advances in the fields of computational chemistry and molecular toxicology in recent decades allow the development of predictive models that inform the design of molecules with reduced potential to be toxic to humans or the environment. The approach presented herein builds on the important work in quantitative structure-activity relationships by linking toxicological and chemical m

SUBMITTER: Kostal J 

PROVIDER: S-EPMC4443366 | biostudies-literature | 2015 May

REPOSITORIES: biostudies-literature