Sentence examples for computational characterisation from inspiring English sources

Arguably, the necessary software and computing power are now within reach of many researchers in the chemical sciences, and experiments of the future may be preceded by a computational characterisation of compounds of interest, which, when coupled with predictive models, could lead to the selection and prioritisation of the most promising synthetic routes and products [4, 5].

Moal IH, Jiménez-García B, Fernández-Recio J, 2015, CCharPPI: Computational Characterisation of Protein Protein Interactions, http://life.bsc.es/pid/ccharppi/info/affinity_benchmark, Publicly available at the Computational Characterisation of Protein Protein Interactions.

This makes Arabidopsis the most suitable model for the computational characterisation of any group of genes, especially because DNA replication and repair mechanisms are highly conserved across many evolutionarily divergent phylogenetic groups.

Computational and experimental characterisation of the general screening library revealed that the selected compounds 1) span a broad range of lead-like space, 2) show a high degree of structural integrity and purity, and 3) demonstrate appropriate solubility for the purposes of biochemical screening.

Possibilities are discussed for the use of advanced computational techniques in the characterisation of heterogeneous catalysts.

Using a synthetic biology approach that is supported by computational modelling and rigorous characterisation, AND, OR and NOT biological logic gates were layered in both parallel and serial arrangements to generate a repertoire of Boolean operations that include NIMPLY, XOR, half adder and half subtractor logics in a single cell.

Field measurements by cup anemometer at a sampling frequency of 1 Hz and computational modelling were used for characterisation of the wind conditions at a region of complex orography.

Finally, the future perspective for automatic morphology control which requires integration of crystal morphology prediction, morphological PB modelling, on-line 3D imaging and image analysis for shape and PB characterisation as well as computational fluid dynamics is outlined.

Significant global discovery biases remain, but the integration of experimental and computational approaches is proving fruitful for accurate characterisation of the copy, content, and structure of variable regions.

A simplified implementation of the Delany Bazley method is presented which facilitates the acoustic characterisation of poroelastic foam in computational models in the absence of material airflow resistivity data.

Another aspect of such registries is their approach to describe their collections of computational tools, and the implications that such characterisations entail.