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Here we describe a new type of benchmark for structural similarity that takes into account the fact that structural similarity is a continuous scale rather than a binary property.
The basis for the use of these data as a benchmark for structural similarity is our assumption that structural similarity decreases relative to the reference molecule as one moves across the series to lower activity.
The basis for the use of these data as a benchmark for structural similarity is the assumption that structural similarity decreases relative to a reference molecule as one moves from one paper to another through co-occurring molecules, given the size of chemical space and the nature of a random walk.
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Using this procedure with activity data from ChEMBL, we have created two benchmark datasets for structural similarity that can be used to guide the development of improved measures.
In the performed experiments, the hybrid algorithm (BMOPSO-CDRHS) was the best one when compared to the BMOPSO-CDR, MBHS, and NSGA-II algorithms for almost all metrics and benchmarks adopted for structural and functional test.
On the basis of a benchmark of hours for structural engineering design and detailing of reinforced concrete building structures, and two sets of three-dimensional modeling experiments, the potential productivity gain is conservatively estimated to be in the range from 15%and41%1% of the hours required for a project due to improvements in drawing production alone.
(For example, you could argue that August, 2008, marked the end of a bubble and that a labor force participation rate of 66.1percentnt wasn't sustainable. If you bring it down a percentage point, say, and use that as your benchmark before adjusting for structural changes, you will end up with a "real" unemployment rate of about nine per cent).
Hence, a benchmarking for the structural influence (Fig. 9) can include variation of the functional and of the basis set.
In this paper, using a recently developed unified approach, benchmark results are presented for structural optimization when the only source of uncertainty is the variability of the applied load directions.
Background: Simulating genome sequence data with variant features facilitates the development and benchmarking of structural variant analysis programs.
In addition to playing key roles in bacterial metabolism, these proteins have been widely used as a model family for benchmarking structural and functional prediction algorithms.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com