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Exact(10)
In this method, eleven similarity measures and four different values of top retrieved structures were examined.
In our proposed model, for each similarity measure the top retrieved structures represent the voters; each candidate's similarity measures received a number of points or votes depends on the similarity values of the retrieved structures.
The explanation example in Table 1 shows the voting profile example of three top retrieved structures, showing that measure S3 is the winner (with 30 votes or points).
The scope of queries may be varied using a variety of easily configurable options, and the output is annotated to assist the user to filter, sort and understand the difference between query and retrieved structures.
The retrieved structures in each top retrieved represent the voter population to elect the winner similarity measures based on the Borda count method of points achieved by each candidate measure.
In the Borda count implemented here, for each voter, each candidate receives n points (n is the number of points in the retrieved structures in top-n results).
Similar(50)
ProBiS compares the query protein structure sequentially to proteins in the PDB and retrieves structures that share local structural similarities with the query protein.
The homepages of the wwPDB partners contain links to the data files themselves, to expository and tutorial material (including news items), to facilities for deposition of new entries, and to specialized search software for retrieving structures.
A related chemical term "swamping" problem has reported in recent exercises to retrieve structures associated with company code names [19].
Before the patents were retrieved for the 438 compounds, the SMILES strings for those with nitro groups were standardized as we found that otherwise results are missed when retrieving structures from SureChEMBL.
DescriptorSOMEShell MCSS http://host:port/ambit2/algorithm/mcss Fingerprints, used in similarity searching http://host:port/ambit2/algorithm/fingerprints Generate data for accelerating substructure search http://host:port/ambit2/algorithm/smartsprop http://host:port/ambit2/algorithm/struckeys Retrieve structures from non-OpenTox online services http://host:port/ambit2/algorithm/finder.
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Since I tried Ludwig back in 2017, I have been constantly using it in both editing and translation. Ever since, I suggest it to my translators at ProSciEditing.

Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com