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Chemistry Add-in for Word OR 10 Joe Townsend University of Cambridge jat45@cam.ac.uk
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The World Publication
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The World (2003) The Scientist The Lab Journals Web Pages Sad
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Front Matter Abstract Introduction Discussion Experimental References Results Article Structure Synthesis Set up Analysis Compound Name
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(6R,12aR)-6-(1,3-benzodioxol-5-yl)-2-methyl- 2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido [3,4-b]indole-1,4-dione
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N-{[(1,1-dimethylethyl)oxy]carbonyl}-L-tryptophyl- L-methionyl-L-α-aspartyl-3,4,5-tribromo-L- phenylalaninamide
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(2R,3R,4S)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2S,3R,4S,5R,6R)-6- [(2S,3R,4R,5S,6R)-3-acetamido-2-[(2S,3R,4S,5R,6R)-6- [(2S,3R,4R,5S,6R)-3-acetamido-2-[(2S,3R,4S,5R,6R)-6- [(2S,3R,4R,5S,6R)-3-acetamido-2-[(2S,3R,4S,5R,6R)-6- [(2S,3R,4R,5S,6R)-3-acetamido-2-[(2S,3R,4S,5R,6R)-6- [(2S,3R,4R,5S,6R)-3-acetamido-2-[(2S,3R,4S,5R,6R)-6- [(3R,4R,5S,6R)-3-acetamido-2-hydroxy-5-sulfooxy-6- (sulfooxymethyl)oxan-4-yl]oxy-2-carboxylato-4,5-disulfooxyoxan-3- yl]oxy-5-sulfooxy-6-(sulfooxymethyl)oxan-4-yl]oxy-2-carboxylato- 4,5-disulfooxyoxan-3-yl]oxy-5-sulfooxy-6-(sulfooxymethyl)oxan-4- yl]oxy-2-carboxylato-4,5-disulfooxyoxan-3-yl]oxy-5-sulfooxy-6- (sulfooxymethyl)oxan-4-yl]oxy-2-carboxylato-4,5-disulfooxyoxan-3- yl]oxy-5-sulfooxy-6-(sulfooxymethyl)oxan-4-yl]oxy-2-carboxylato- 4,5-disulfooxyoxan-3-yl]oxy-5-sulfooxy-6-(sulfooxymethyl)oxan-4- yl]oxy-2-carboxylato-4,5-disulfooxyoxan-3-yl]oxy-5-sulfooxy-6- (sulfooxymethyl)oxan-4-yl]oxy-3,4-disulfooxy-3,4-dihydro-2H-pyran- 6-carboxylate
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Hamburgers PaperPaper 1 CommunicationCommunication 2 Supplementary InformationSupplementary Information 2 [1] Org. Biomol. Chem., 2010, 8, 3149 - 3156, DOI: 10.1039/c003511d [2] Org. Biomol. Chem., 2010, 8, 3130 - 3132, DOI: 10.1039/c004556j Converting PDF to XML is a bit like converting hamburgers into cows. You may be best off printing it and then scanning the result through a decent OCR package. 3 [3] Michael Kay. (2009, August) xml-dev - RE: [xml-dev] How we can convert pdf data into xml? http://lists.xml.org/archives/xml-dev/200607/msg00509.html
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STOP! DEMO TIME
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Under the Hood
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Is it CML? Does it use Chemical Mark-up Language correctly Is it CMLLite? Tighter constraints and co-constraints Is it normalised? Further constraints and normalization Validation
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Chemistry Zone Chemistry Zone CML Properties Function & OPC
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Package Structure
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APP. SPECIFIC UI MANIPUL- LATION DOMAIN MODEL NUMBO Chemical Intelligence ZoneCMLProperties List of Depictions Show ListCIDZone’Properties’
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Linked Zones CML Properties 1 Properties 2 Properties 3 154
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CML Properties 154 CML Properties 154 CML’ Properties 155 COPY Fn Copied Zones
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Record Keeping
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What can we do with a Cow? 5-Cyclobutyl-2,3-dihydro-[1H]-2-benzazepine 82: Potassium carbonate (0.63 g, 4.56 mmol) and thiophenol (0.19 g, 1.69 mmol) were added to the 2-nitrobenzene sulfonamide 50 (0.50 g, 1.302 mmol) in N,N-dimethylformamide (33 cm 3 ) at room temperature and the mixture was stirred for 16 h. Deionised water (50 cm 3 ) was added and the aqueous phase was extracted with ethyl acetate (5 x 50 cm 3 ). The organic extracts were dried (MgSO 4 ) and concentrated under reduced pressure to give the title compound 82 (0.259 g, 1.302 mmol, ca. 100%) as an oil used without further purification.
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Tokenization and Chunking
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Phrase identification
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RDF of reaction components
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3D Boxes: Solid Double Circles: Oil Octagon: Gum Triple Octagon: Foam Diamond: Crystals or Needles Ellipses: Unknown or Unspecified
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The World The Scientist The Lab Journals Web Pages Repositories
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Tony Hey, Lee Dirks, Alex Wade, Savas Parastatidis, Oscar Naim, Pablo Fernicola, Geraldine Wade, Murray Sargent, Rudy Potenzone, Tim Haughton, Mike Galos, Tola Chhoeun, Jim McGill Peter Murray-Rust, Jim Downing, Sam Adams, Daniel Lowe http://research.microsoft.com/chem4word http://chem4word.codeplex.com Thanks
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