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Multiscale continuum figures from Tratnyek et al. (2017) "In silico environmental chemical science: Properties and processes from statistical and computational modelling"

Tratnyek, Paul G.

Accessible versions of selected figures from Tratnyek et al. (2017) "In silico environmental chemical science: Properties and processes from statistical and computational modelling" Environ. Sci. Processes Impacts 19(3): 188-202. DOI: 10.1039/C7EM00053G.

The Abstract Art figure shows a classification of variables for predictive/diagnostic models used in silico environmental chemical science, in terms of system scales and variable types. Figure 3 shows a continuum of system scales encompassing the whole scope of predictive/diagnostic modelling for in silico environmental chemical sciences, juxtaposing earth and biological scales.

The published version of Figure 3 is tall, for two-column page-layouts, but a wide version of Figure 3 is provided for landscape oriented formats. The 300 dpi versions of each figure should be adequate resolution for most purposes, and therefore are recommended. The large versions of the figures may take significant time to download, but may be useful for high resolution applications.

This work is from the perspectives/review paper at the beginning of a themed issue on "Quantitative Structure-Activity Relationships (QSARs) and Computational Chemistry Methods in the Environmental Chemical Sciences", published in the March 2017 issue of the Royal Society of Chemistry journal Environmental Sciences: Process and Impacts. The whole collection of papers can be accessed at rsc.li/qsars.

The artwork in these figures is by Brittany Cummings. The authors' work in this area is supported by the U.S. National Science Foundation (NSF grants 1333476 and 1506744), Department of Defense (SERDP grants ER-1735 and 2725), Department of Energy (EMSL project DE-AC06-76RLO 1830), and Environmental Protection Agency.
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