On March, 22, 2017 a themed issue of the journal Environmental Science: Processes & Impacts on the topic of “QSARs and computational chemistry methods in environmental chemical sciences” has been released. The themed issue has been co-edited by guest editor Kathrin Fenner (Eawag/University of Zürich) and ESPI editor Paul Tratnyek (OHSU). The collection of 25 invited research articles, perspectives, and critical reviews gives a wide and balanced perspective on the whole range of “in silico” methods in environmental chemical science at this time. Particularly, the contributions showcase new examples of the more purely statistical (QSAR) and theoretical (molecular modeling) approaches to environmental chemistry, and also some examples of how these disciplines might start to converge to optimize prediction accuracy while making full use of existing data. 

Link to the Themed Issue