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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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REAXYS: TIPS AND TRICKS FOR TRAINERS
SEPTEMBER 17, 2013
Christine FlemmingProduct Training [email protected]
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AGENDA
• WHERE CAN I FIND REAXYS MATERIALS?
• QUESTIONS
• MORE QUESTIONS
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NEXT REAXYS WEBINAR
Reaxys IntroductionTuesday Oct. 15, 201310:00 am New York time
NEW MATERIALS
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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).
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VIDEOShttp://www.elsevier.com/online-tools/reaxys/customer-support#videos
Transition Guide
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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
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POSTERS
Training Poster
Pop-up
banner
http://www.elsevier.com/online-tools/reaxys/customer-support#admin
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http://cdn.elsevier.com/assets/pdf_file/0005/128183/ReaxysManual_March2013.pdf
49 pages
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REPEATING GROUPSMultiple Group tool
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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:
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QUERY AND RESULTS
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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]
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QUERY AND RESULTS
Results:
Query:
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PRESENTER | DATE | NAME OF PRESENTATION
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EXCLUDE PATENT REFERENCES
How do I exclude patent references from my results?
If you are doing a literature search, just filter the results:
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
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:
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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.
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RINGS
Ring Count
No Additional Rings
G and G*
Generic Groups
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Consult the Help file for details about ring abbreviations
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G and G*
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Ring CountsFind hydrocarbons containing this substructure.
Eliminate steroids (4 hydrocarbon rings).
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No Additional Rings
(See Link Nodes section)
Exception – It will retrieve substances with rings further from the core.
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35 pages
http://cdn.elsevier.com/assets/pdf_file/0003/128181/FindOrganometallics_March2013.pdf
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METAL COMPLEXES
Q. How do I draw a metal complex in MarvinSketch?
MAGNESIUM OXIDE
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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.
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THANK YOU!
