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Numerous executions of the simulation were performed to ensure that the results presented here are a representative set for the average case.
ChEMBL consists of 1,059,559 unique compounds and can be used as a representative set for estimating the distribution of Tanimoto similarities amongst all the possible subsets that we might wish to select.
Molecules were selected according to their unique scaffold as a representative set for over 140,000 available structures from the full NCI database.
The web-based functional annotator KAAS (KEGG Automated Annotation Server) [ 51, 90] was used to map the transcript identifiers to KO numbers thus assigning the transcripts to KEGG pathways (single bidirectional best hit-method using the representative set for genes at KAAS; default blast score of 60).
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Pathway annotation was conducted using the KEGG Automatic Annotation Server (KAAS) web server and Single-directional Best Hit (SBH) method against representative sets for eukaryotes.
However, it is not possible to define a representative set of conditions for normal clinical service.
There was no intention to get a representative set of areas for a larger region or country.
Therefore, it is important to consider that this step may remove valid transcripts in order to generate a representative set of transcripts for annotation.
This index could be "trained" on data-rich chemicals and products and then validated on a representative set of chemicals for which little exposure data are available.
HMMs in the Pfam database are constructed from an alignment of a representative set of sequences for each protein domain, called a seed alignment.
To select a representative set of genes for functional studies, we sampled from our compiled phylogenetic tree using an algorithm that maximizes the phylogenetic distance covered for any given number of representatives.
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