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The first ten diverse conformers were used for each molecule.
After all, the current PubChem3D theoretical conformer generation approach does not guarantee that the single (default) conformer used for each molecule in the NN pairs is a (or "the") bioactive conformation.
To ensure an unbiased comparability of compounds in the chemical data sets the Standardizer, JChem 5.12.0, 2013, ChemAxon [38] (http://www.chemaxon.com), was used for each molecule in training and test set to canonicalize and transform every molecular structure.
Similar(57)
In an ideal case, a suitable σ a should be used for each target MHC molecule.
A single siRNA molecule was used for each positive control gene: KIF11 (siRNA ID #105925), PLK1 (siRNA ID #213548).
Five panels were used for each mixture and 400 500 RNase P molecules were present in each panel.
Originally aimed at peptide scoring, this software can also be used for small molecule MS/MS similarity.
Values are expressed as averages ± s.e.m. Adult CD1 mice were used for small molecule administration.
The B7-2-PhaP immobilized PHA nanosystem is a novel strategy for costimulation molecule presentation and may be used for costimulatory molecule complementary therapy.
Fluorescein is one of the brightest optical labels known, and is often used for single molecule detection experiments (one molecule is 1.7 × 10−3 zeptomoles).
These are the less frequently used xrefs, many of which were used to reference non-protein interactors (e.g. Merck Index identifiers used for small molecule interactors).
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used for each case
used for each run
used for each concentration
used for each marker
used for each replicate
used for each transfection
used for each animal
used for each parameter
used for each class
used for each test
used for each gene
used for each analysis
used for each treatment
used for each condition
used for each database
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