Tips tricks sept17

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Slides used in the September 17, 2013 webinar showing various query features that can be used with structure queries.

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  • 1. REAXYS: TIPS AND TRICKS FOR TRAINERS SEPTEMBER 17, 2013 1 Christine Flemming Product Training Manager Elsevier c.flemming@elsevier.com

2. AGENDA WHERE CAN I FIND REAXYS MATERIALS? QUESTIONS MORE QUESTIONS 2 3. NEXT REAXYS WEBINAR 3 Reaxys Introduction Tuesday Oct. 15, 2013 10:00 am New York time 4. NEW MATERIALS 5. 6 http://www.elsevier.com/online- tools/reaxys/training-and-support This page does not contain all of the available materials. (Link from the Help file, instead). 6. 7 VIDEOS http://www.elsevier.com/online-tools/reaxys/customer-support#videos 7. Transition Guide 8 HELP, GUIDES, AND WORKFLOWS Guides and Manuals Workflows and Use Cases Help file http://www.elsevier.com/online-tools/reaxys/customer-support#guides-and-manuals 8. POSTERS 9 Training Poster Pop-up banner http://www.elsevier.com/online-tools/reaxys/customer-support#admin 9. 10 http://cdn.elsevier.com/assets/pdf_file/0005/128183/ReaxysManual_March2013.pdf 49 pages 10. REPEATING GROUPS 11 Multiple Group tool 2 54 31 PEG Draw the main structure Select the repeating part Select Group from the menu Type in the desired number of repeating units. Query. It is equivalent to this: 11. QUERY AND RESULTS 12 12. 13 2 4 3 1 Draw main structure (it can be a ring or a chain) Select an atom as the point where the structure may expand. Right click and select Edit atom>Link Node and then select the appropriate number. REPEATING GROUPS Link Nodes Repeat using another atom Open some sites to substitution by selecting an atom and typing [.s6] 13. QUERY AND RESULTS 14 Results: Query: 14. 15 15. EXCLUDE PATENT REFERENCES PRESENTER | DATE | NAME OF PRESENTATION 16 How do I exclude patent references from my results? If you are doing a literature search, just filter the results: 16. If you are doing a structure search: Filter to include only articles: Click to view hit data: Hit data now enables you to view only data from articles.or data from articles and patents. Articles only Articles and patents 17. If you are doing a reaction search: Results contain both articles and patents Filter: After filtering, the results still look the same as above with a mix of articles and patents. However, reactions that appear only in patents (not in both articles and patents) have been removed from the list. So now the results show: 18. 19 To view these 19 reactions, you can click the Citations tab and view the relevant reactions from each article : Or you can export the list, selecting Hit Data Only : Then you will have a document with the article references and the relevant reactions from each article. 19. RINGS 20 Ring Count No Additional Rings G and G* Generic Groups 20. 21 Consult the Help file for details about ring abbreviations 21. 22 G and G* 22. 23 Ring Counts Find hydrocarbons containing this substructure. Eliminate steroids (4 hydrocarbon rings). 23. 24 No Additional Rings (See Link Nodes section) Exception It will retrieve substances with rings further from the core. 24. 25 35 pages http://cdn.elsevier.com/assets/pdf_file/0003/128181/FindOrganometallics_March2013.pdf 25. METAL COMPLEXES 26 Q. How do I draw a metal complex in MarvinSketch? 26. MAGNESIUM OXIDE 27 Occasionally, the Generate structure template from name functionality does not interpret the name correctly. However, there are usually several ways to get the answers you need. Some examples are shown below. In MarvinSketch, right click the bond and select Edit Bond>Type> Any In MarvinSketch, right click the Mg and select Charges and select the number. 27. THANK YOU! 28