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For standardization (structure canonicalization and transformation – see Additional file 1: Table S9) the molecules were supplied to ChemAxon's Standardizer module (JChem 6.0.0, 2013, ChemAxon, http://www.chemaxon.com).
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Each item within the AD provides simplified administration by following naming standardization and a standardized structure.
Information is deposited into Substance and subjected to automated cleanup and standardization protocols, and the resulting standardized structures are the content of Compound.
Regarding the standardization and structuring of the EMR system, a lot of time has been wasted trying to define a unique format for all doctors and all pathologies.
An example of the validation of chemical structures with Accelrys Cheshire in our platform is presented in Figure 8. Figure 8 Example of a standardization of the structure in the interface of the registration system of our company.
Chemical structure standardization reduces the ambiguity to a limited extent.
Interface to the PubChem structure standardization algorithm to obtain common structure representations for comparability or lookup.
Consequently, all of them are a result of the PubChem structure standardization protocols.
The effect of chemical structure standardization on reducing the ambiguity of non-systematic identifiers is limited.
We also studied the effect of chemical structure standardization on reducing the ambiguity of non-systematic identifiers.
This representation was previously not handled by the PubChem structure standardization protocols, and consequently, affected substances were rejected.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com