Organic & Pharmaceutical Subcommittee – Attachment No.2 Merck Index Project Flow Chart March 2001 500 entries abstracted from Merck Index (12th Edition) and entered in Excel Spread- sheet according to agreed format. File sent to ICDD (T. Kahmer) ICDD (F. Needham checks molecular formula of each entry against Cambridge Structural Database (CSD), and F. McClune checks entries against Powder Diffraction File.) PDF Are there any hits CSD in PDF or CSD? Enter PDF # in Excel spreadsheet. F. Needham sends CSD molecular formula Return to T. hits to S.F. Lin to search for CSD structural Kahmer formula hits. If match occurs, he will enter the CSD Ref. Code in the spreadsheet. Merck entries which have structural formula hits in CSD Excel file now containing CSD and will have powder patterns PDF flags sent to G. Stephenson by calculated by Science Dept. T. Kahmer. Greg Stephenson will compare the 1200 entries in the United States Pharmacopaeia (USP) with these spreadsheet entries. Organic & Pharmaceutical Subcommittee – Attachment No.2 Any entries in the Merck Excel File that appear in the USP list will be flagged with “P” or “USP”. Supply Grant-in-Aid Committee Copy of the Merck Excel File containing with details of pharmaceutical flags for PDF hits, CSD hits and USP hits compounds from USP which do sent to D. Rendle. All un-flagged entries, not have powder patterns in the i.e. those not classified as pharmaceuticals, PDF. to be prioritised in terms of their perceived importance to the Organic PDF. Compare this prioritised list of non- pharmaceutical organic compounds with Sigma-Aldrich or Fluka catalogue to check on availability and price. Pass list to GiA committee. Grant-in-Aid Committee should now have a prioritised list of: (a) pharmaceuticals with their sources (USP or a Fine Chemical Supplier) and purchase price (b) other organic compounds regarded as important, with their sources and purchase price The committee can inform potential grantees of all compounds whose powder patterns ICDD would most like to be included in the Organic PDF. Grantees then obtain compounds, collect powder data and submit to ICDD for inclusion in the Organic PDF.
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