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Using Subfiles with PDF-4/Organics

Using Subfiles with PDF-4/Organics. Using Subfiles – What ?. PDF-4/Organics has some uniquely defined and populated subfiles these include Excipients 1,623 Entries* Bioactivity 9,010 Pharmacueticals 3,577 Merck 1,574. These subfiles are expressly designed to solve pharmaceutical

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Using Subfiles with PDF-4/Organics

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  1. Using Subfileswith PDF-4/Organics

  2. Using Subfiles – What ? • PDF-4/Organics has some uniquely defined and populated subfiles these include • Excipients 1,623 Entries* • Bioactivity 9,010 • Pharmacueticals 3,577 • Merck 1,574 These subfiles are expressly designed to solve pharmaceutical material identifications. * PDF-4 / Organics Release 2008

  3. Unique SubfilesExpert knowledge put in the database ! Excipients– Defined by USP and European standards , edited by ICDD editors Bioactivity– Defined and edited by CSD* editors using author cited criteria, can be commercial or exploratory materials Pharmacueticals– Defined and edited by ICDD editors as being commercial materials Merck – Materials having corresponding entries in the Merck Handbook as defined by an ICDD member task group

  4. Using Subfiles – Why ? • Faster Searches – only use chemistry of interest • Increased efficiency – fewer false positive matches

  5. Using Subfiles – How? • The easiest way to use a subfile is to point and click a defined subfile of interest (i.e. pharmacueticals, excipients etc). • User defined subfiles can also be created and saved through keyword and other various searches

  6. Selecting a Subfile from the Search Page Search Icon Boolean Operators “Point and Click” Selection

  7. Example of a user defined subfile If a scientist wanted to create a subfile of pigment candidates. The following search would eliminate colorless compounds and color missing compounds from the database. These results could then be combined to subtract the known commercial pigments using the “not” operator on the pigment subfile.

  8. User defined subfile The user defined subfile of colored materials that aren’t known pigments found 136,355 materials from 341,540 possible entries

  9. User Defined Subfilesfurther refinements of a pigment candidate search The user could further narrow the search by choosing specific colors of interest The “Element” Search page could reduce the search to specific compositions The periodic table search could be used to eliminate known heavy metals and radioactives

  10. User Defined Subfiles • Searches can be combined by using the History function • Searches can be saved from the Results form

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