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Based on the Kalman-consensus filter protocol, all sensors which only depend on its neighbors' information can track their corresponding targets.
Following these considerations, again a hierarchical filter protocol was established.
A hierarchical filter protocol was established to enrich the desired compounds.
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If we now consider the remaining targets, MRC-score and MRC-rank with pre-filtering outperformed the corresponding versions without the filtering protocol with a statistical significance (assessed via the one-tailed t-test for paired samples) p<0.07 for every figure of merit considered in this work.
The reconstruction parameters for IQ-SPECT were 15 iterations, 2 subsets and 10-mm Gaussian post-filter (protocol A) and 12 iterations, 1 subset and 10-mm Gaussian post-filter (protocol B).
Before the filtering protocol, 300 candidates were generated for each type of logic operation in each run.
The first step of the filtering protocol involved the generation of the seed structures for the actives (obtained from http://dud.docking.org/clusters/) using CORINA3D and refinement using MACROMODEL at pH 7.0 [56].
For that reason, it becomes necessary to delve into the source code of the search program to find out each method's spectral filtering protocol.
However, thanks to the filtering protocol, the most capable conformation could be identified (BEDROC = 0.28 versus 0.06 of the discarded one).
In order for RAId_aPS to capture the essence of a scoring function, it is very important for RAId_aPS to produce, for every input raw spectrum, a filtered spectrum that is as close as possible to the one produced by other search tool's filtering protocol.
We propose and validate a five-filter protocol for this purpose, as follows.
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