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

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

6. 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).

7. 7
VIDEOS
http://www.elsevier.com/online-tools/reaxys/customer-support#videos

8. 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

9. POSTERS
9
Training
Poster
Pop-up
banner
http://www.elsevier.com/online-tools/reaxys/customer-support#admin

10. 10
http://cdn.elsevier.com/assets/pdf_file/0005/128183/ReaxysManual_March2013.pdf
49 pages

11. 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:

12. QUERY AND
RESULTS
12

13. 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]

14. QUERY AND RESULTS
14
Results:
Query:

15. 15

16. 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:

17. 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

18. 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:

19. 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.

20. RINGS
20
Ring Count
No Additional Rings
G and G*
Generic Groups

21. 21
Consult the Help file for details about ring abbreviations

22. 22
G and G*

23. 23
Ring Counts
Find hydrocarbons containing this
substructure.
Eliminate steroids (4 hydrocarbon
rings).

24. 24
No Additional Rings
(See Link Nodes section)
Exception – It will retrieve
substances with rings
further from the core.

25. 25
35 pages
http://cdn.elsevier.com/assets/pdf_file/0003/128181/FindOrganometallics_March2013.pdf

26. METAL COMPLEXES
26
Q. How do I draw a metal complex in MarvinSketch?

27. 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.

28. THANK YOU!
28