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In other cases chemicals with unique or unusual chemical structures are identified in the natural product.
Perfluorinated alkyl acids (PFAAs) are a class of chemicals with unique water-, dirt-, and oil-repellent properties; high stability; and resistance to degradation.
Background: Perfluorinated alkyl acids (PFAAs), persistent chemicals with unique water-, dirt-, and oil-repellent properties, are suspected of having endocrine-disrupting activity.
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A validated data set for more than 300 individual chemical compounds with unique organic chemical structures was obtained.
In order to store and manage thousands of chemical compounds in such an environment, we have built a state-of-the-art master chemical database with unique structure identifiers.
Glutaraldehyde is a widely-used chemical crosslinker with unique ability to crosslink a wide variety of biomaterials; however, many contradictory views have been recently raised on its cytotoxic effects.
Comparison of the 2-D "Similar Compound" and 3-D "Similar Conformer" neighboring relationships using three well known small molecules, caffeine, aspirin, and morphine, demonstrates how each neighboring relationship can help find related chemical structures with unique biological annotation.
Comparison of the 2-D "Similar Compound" and 3-D "Similar Conformer" neighboring relationships using dopamine to demonstrate how both neighboring relationship complement each other when locating related chemical structures with unique biological annotation.
Otherwise, the profile of chemical structures without neighbors is much like that for a set of 26,157,365 CIDs that represent the entire "live" PubChem3D contents as of October 2010 (designated as the Search set), representing a small minority of chemical structures with unique shape and feature profiles.
It is not clear what sample size is required for discovery of a gene classifier for any given chemical with a unique MOA.
Very often, the indexing with MeSH also normalizes the name of the main chemical with a unique identifier (or preferred term) discussed in the article (i.e. raloxifene or amsacrine).
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com