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Chemistry Add-in for Word

Chemistry Add-in for Word. OR 10 Joe Townsend University of Cambridge jat45@cam.ac.uk. Publication. The World. The World (2003). Web Pages. Sad. The Lab. Journals. The Scientist. Article Structure. Front Matter. Set up . Abstract. Introduction. Compound Name. Discussion.

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Chemistry Add-in for Word

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  1. Chemistry Add-in for Word OR 10 Joe Townsend University of Cambridge jat45@cam.ac.uk

  2. Publication The World

  3. The World (2003) Web Pages Sad The Lab Journals The Scientist

  4. Article Structure Front Matter Set up Abstract Introduction Compound Name Discussion Results Synthesis Experimental Analysis References

  5. (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(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

  6. N-{[(1,1-dimethylethyl)oxy]carbonyl}-L-tryptophyl-L-methionyl-L-α-aspartyl-3,4,5-tribromo-L-phenylalaninamideN-{[(1,1-dimethylethyl)oxy]carbonyl}-L-tryptophyl-L-methionyl-L-α-aspartyl-3,4,5-tribromo-L-phenylalaninamide

  7. (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(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

  8. Hamburgers Paper1 Communication2 Supplementary Information2 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 [1] Org. Biomol. Chem., 2010, 8, 3149 - 3156, DOI:10.1039/c003511d [2]Org. Biomol. Chem., 2010, 8, 3130 - 3132, DOI:10.1039/c004556j [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

  9. STOP!DEMO TIME

  10. Under the Hood

  11. Is it CML? • Does it use Chemical Mark-up Language correctly Validation • Is it CMLLite? • Tighter constraints and co-constraints • Is it normalised? • Further constraints and normalization

  12. Chemistry Zone Function & OPC

  13. Package Structure

  14. Linked Zones Properties 1 154 CML Properties 3 Properties 2

  15. Copied Zones Properties Properties COPY 154 154 CML CML Fn CML’ 155 Properties

  16. Record Keeping

  17. 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 cm3) at room temperature and the mixture was stirred for 16 h. Deionised water (50 cm3) was added and the aqueous phase was extracted with ethyl acetate (5 x 50 cm3). The organic extracts were dried (MgSO4) 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.

  18. Tokenization and Chunking

  19. Phrase identification

  20. RDF of reaction components

  21. 3D Boxes: Solid • Double Circles: Oil • Octagon: Gum • Triple Octagon: Foam • Diamond: Crystals or Needles • Ellipses: Unknown or Unspecified

  22. The World Web Pages The Lab Repositories Journals The Scientist

  23. Thanks Tony Hey, Lee Dirks, Alex Wade, SavasParastatidis, Oscar Naim, Pablo Fernicola, Geraldine Wade, Murray Sargent, Rudy Potenzone, Tim Haughton, Mike Galos, TolaChhoeun, Jim McGill Peter Murray-Rust, Jim Downing, Sam Adams, Daniel Lowe http://research.microsoft.com/chem4word http://chem4word.codeplex.com

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