Fitness calculation focuses on pharmacophoric similarity with the known ligands while parent selection uses a graph-based diversity method in order to preserve structural diversity of the evolved molecules.
Calculations focusing on area alone, however, disregard potential longer-term impacts of fragmentation.
Instead of global calculations focusing on the whole landscape, the proposed ZonalMetrics toolbox allows the calculation of landscape metrics for user-defined zones.
The strategies have been historically justified using cost savings calculations focusing on easily quantifiable costs such as raw material savings or manufacturing or assembly operations no longer required.
The success of time-resolved laser-induced fluorescence spectroscopy (TRLFS; e.g., [113] and references therein) also suggests that future quantum mechanical calculations focusing on predicting fluorescence spectra would be worthwhile.
But financial aid calculations focus on assets (other than a home) and past, present and future income, and while such calculations allow for living expenses, the assumed lifestyle may be more austere than what many families have enjoyed or are willing to accept.
The calculations focused on working and living in each town, with no points awarded for scenery, culture, or connections to the rest of the UK, which is why places which have commonly been favoured by those who commute into London, like Luton and Brighton, don't make the top 20.
The calculations focus on the direct desulfurization pathway where dibenzothiophene reacts with H2 to biphenyl and H2S.
The calculations focused on two enzymes that have become paradigms for computational investigations: chorismate mutase (CM) and para-hydroxybenzoate hydroxylase (PHBH).
The calculations focus on the grain cohesion and describe the dependence of this quantity on the structural grain parameters, i.e. size, shape and defect type.
