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A knowledgebase with such information could have been published and shared as an outcome of any of a number of studies on this subject, with annotations attached directly to existing chemical entities in one of the major chemical databases.
The major chemical databases now facilitate structured queries using a wide range of specifications including sketcher inputs, SD file uploads, semantic names, synonyms, IUPAC names, SMILES, InChI strings and InChIKey [1].
Mapped drugs in iCTNet include over 13,000 curated chemicals and associations with several other major chemical databases.
The table also contains synonyms, empirical formula and molecular weight, aglycone names, and identification numbers in major chemical databases (CAS, ChEBI and PubChem).
Specifically the major chemical databases can ensure a) they tag availability (i.e. a retrievable flag "this compound is in free box Y", b) the publications, patents and historical assay results are linked to the same entries and crucially c) new results (with appropriate provenance) from users of box compounds are promptly added back into the database records.
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Many types of chemical databases are available: ➢ Chemical structure databases.
The past decade has seen a major increase in the availability of public and commercial chemical databases [1].
cApp is a personal database solution for small-molecule compounds which can handle all major chemical formats.
It was the world's first major chemical weapons attack.
The Table shows the five major chemical subdivisions of pyroxenes.
To index the bibliographic chemical databases [4].
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major chemical parameters
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major publication databases
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major healthcare databases
major citation databases
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com