Definitions
from Wiktionary, Creative Commons Attribution/Share-Alike License.
- noun chemistry, computing Any of many applications of
information technology tochemistry
Etymologies
from Wiktionary, Creative Commons Attribution/Share-Alike License
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Examples
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Labels: cheminformatics, chemistry, Indiana, lecture, Open Notebook Science posted by Jean-Claude Bradley at
Archive 2008-03-01 2008
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I guest lectured on Rajarshi Guha's cheminformatics course at Indiana University on March 25, 2008.
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I guest lectured on Rajarshi Guha's cheminformatics course at Indiana University on March 25, 2008.
Archive 2008-03-01 2008
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Labels: cheminformatics, chemistry, Indiana, lecture, Open Notebook Science posted by Jean-Claude Bradley at
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The use cheminformatics tools such as SMILES, InChI, InChIKeys and JCAMP-DX to store and retrieve experimental information on a public laboratory notebook is detailed. audio (mp3)
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The use cheminformatics tools such as SMILES, InChI, InChIKeys and JCAMP-DX to store and retrieve experimental information on a public laboratory notebook is detailed. audio (mp3)
Archive 2008-04-01 2008
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If you are sure your cheminformatics representation is in order, I welcome a bug report here.
Bioclipse for CDK Developers #1 Egon Willighagen 2009
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Peter had a detailed blog about why he joined the editorial board:I take this position with some trepidation as I have grave reservations about the current practice of cheminformatics.
Archive 2009-03-01 Egon Willighagen 2009
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I am not sure if this involves open source cheminformatics, but asked about that... the whole article is worth reading.
ELN vendor: "The Open Source stuff just works better" Egon Willighagen 2009
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In cheminformatics it is even often the case that the algorithms are not even specified and that there only truly is source.
Archive 2009-05-01 Egon Willighagen 2009
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