Sentence examples for maps of chemical from inspiring English sources

In broad terms, calculated property descriptors are processed into maps of chemical space1 for three different, sometimes connected, purposes: 1) fine-tuning and optimisation, 2) screening and selection, and 3) exploration.

On the resulting maps of chemical space, proximity points to greater similarity, and such maps, as well as the underpinning descriptors, have been used for the optimisation, screening and exploration of compounds with different levels of resolution.

These studies have adapted combinatorial virtual synthesis algorithms for use with transition metal centres, and combine this with a range of descriptors and response data to pursue the discovery of viable novel catalysts; they are not usually processed into formal maps of chemical space, though.

For various tests described here, this LA-ICP-MS approach can generate 2-D and 3-D maps of chemical distributions in rock at a spatial resolution of microns, and a concentration limit of low mg/kg (Hu et al. 2004; Hu and Mao 2012; Peng et al. 2012).

For larger databases with multiple (correlated) descriptors, a range of statistical approaches are available to convert data into maps of chemical space, and of these, principal component analysis (PCA) is used most widely, likely because the approach is implemented in many data analysis packages.

However, to use these models we would first have to create global maps of chemical use and land-management.

Additionally, it could be extended to enriched physicochemical structural indices by considering the molecular fragments or structural alerts (or other molecular residues), providing more detailed maps of chemical-biological interactions and pathways.

Experimental and analytical techniques are introduced for the quantitative, nanoscale mapping of chemical bonding information in carbon-based materials.

Writing in the Proceeding of the National Academy of Sciences, the team say analysis of the fossil, including a mapping of chemical elements, reveals a number of features seen in hagfish today – slime glands included.

Recently, a number of non-destructive X-ray diffraction (XRD) methods have been developed that allow the mapping of chemical and structural information from bulk objects in three- and four dimensions10,11.

Heteropolyanions (polyoxometalates) can be deposited to form ordered monolayers that permit site-by-site mapping of chemical functions on the surface, as well as characterization of redox properties of individual molecules by tunneling spectroscopy with the scanning tunneling microscope.