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Examples of approaches to chemical Identification. |
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| Prose description |
More precise suggested naming using the CML[5] approach |
Type of information |
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| Acetaldehyde has a general narcotic action |
<p><cml:molecule> <cml:identifier convention="iupac:inchi">1/C2H4O/c1-2-3/h2H,1H3</cml:identifier> <cml:identifier convention="pubchem:CID">177</cml:identifier> </cml:molecule> has a ...</p> |
precise, redundant |
| Benzo(a)pyrene is a potent mutagen and carcinogen |
<p><cml:molecule><cml:identifier convention="pubchem:CID">2336</cm l:identifier></cml:molecule> is a ...</p> |
precise |
| glycine (1 mmol) was added ... |
<p><cml:molecule title="glycine"><cml:identifier convention="iupac:inchi">1/C2H5NO 2/c3-1-2(4)5/h1,3H2,(H,4,5)</cml: identifier></cml:molecule> is a ...</p> |
hydrogens mobile |
| calculations on glycine zwitterion... |
<p><cml:molecule title="g><cml:identifier convention="pubchem:CID">InChI=1/C2H5NO2/c3-1-2(4)5/h1H3,3H2</cml: identifier></cml:molecule> is a ...</p> |
hydrogens precise |
| ... a monosaccharide transporter... |
<p>a <cml:molecule title="monosaccharide"><cml:ident ifier convention="iupac:carbohydrate">2 -Carb-2</cml:identifier></cml:mol ecule> transporter ...</p> |
Data |
Murray-Rust et al. BMC Bioinformatics 2005 6:180 doi:10.1186/1471-2105-6-180 |
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