1. Master and Powerful your Chemical Search through Reaxys
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2. Outline Introduction of Reaxys Quick Search：Reaction Synthesis Planner
Quick Search ：Substance properties
Set-up personalized Alert and Export the data
Query Builder
Query Builder Case study
Multi-questions search
Excluding
Use Pattern
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3. Introduction of Reaxys

4. Uses across disciplines Chemistry fundamentals
Reaxys is a database that contains over 56M document records with a unique excerption and indexing process applied to them
>56 M Document records from 16,000 journals and seven patents offices describing applications in material sciences, biomedicine, technology, geosciences, engineering, environmental sciences, pharmacology...
>105 M Substance records with >500 M excerpted physical, chemical, spectral, ecological, and bioactivity properties.
>46 M Reaction records including excerpted data on reaction conditions, solvents, catalyst, yield, etc.
Uses across disciplines
Chemistry fundamentals

5. Key patent organizations
World US
Europe
Japan
S. Korea
China
Taiwan
≤2014
2015
2016
2017
Estimated number of compounds to be added from Asian patents in next months
July 2016
September 2016
December 2016
2018
90K
326K
592K
Predicted 1M

6. Excerption of facts – how Reaxys handles the literature
Excerption of facts and Indexing of literature is done by Chemists for Chemists
Substance-record
Excerption
Reaction-record
Bibliographic-record
Indexing

7. How the new User interface works – Quick Search
Common search types using natural language and familiar terms
For Quick Search, simply enter a search phrase and/or draw a structure.

8. Quick Search recognizes search intention and lists alternative hit sets1
Interprets natural language 2
Recognizes search intention (reactions) 3
Delivers a ranked list of alternative results suggestions

9. How the new User interface works – Query Builder
Allows user to build their own queries by combining intelligent search fields

10. Query Builder allows user to build their own queries by combining intelligent search fields4
Enter search terms and click Search. 1
Search Querylets 3
Combine them with operators
Drag and drop them into a query 2

11. 6% Text search 90% Structure Search 2% Combined 2% Query Builder
Users are not using the full potential of the Reaxys system (text = 4%, QB = 1% and combined search = 1%).
We are assuming that CI users are using it in a same way as RX.com – We can be fairly confident as we have seen similar pattern of usage across other clients.

12. Flexible Structure Search Interface
Marvin JS
ChemDraw
Reaxys ChemDraw JS
ChemDraw 18.0, connect with Reaxys

13. Each record retrieved offers multiple touch points to discover more within and outside of Reaxys
Display associated index terms
View citing articles in Scopus
Access Substance record
See other reactions
Access references
Check availability
Examine experimental conditions
View property data

14. Strong Filter Function15

15. Quick Search: Search for Reaction

16. Search for Reaction (1/3)
Example：The potential Synthesis method for Esomeprazole substructure.
Esomeprazole is a proton-pump inhibitor which reduces stomach acid. It is used in the treatment of dyspepsia, peptic ulcer disease, gastroesophageal reflux disease, and Zollinger-Ellison syndrome.
Click on 「Create Structure or Reaction Drawing」
Click on 「Create structure template from name」 17

17. Search for Reaction (2/3)
Method：
Type in “esomeprazole”，
Optioins IS
START WITH
ENDS WITH
CONTAINS
Modify the sturcutre：
Since we are keen to find the derivatives synthesis method, we have to clean all the side-train of esomprazole by the eraser function, then search for substructure. 18

18. Search for Reaction (3/3)
Search structure in
As Substructure
Click 「Transfer to query」
Click Find ① ② 19

19. 查詢選項 ① For Structure ① ② Others ② As Drawn As Substructure
on all atoms
on heteroatoms
Similarity
② Others
Tautomers
Stereo
Additional ring closure
Related Markush
Salts
Mixtures
Isotopes
Charges ① ② 20

20. Preview Results to show the top 3 results of the search
Result Page
Several results shows in this page as Substance, Targes, and Reactions.
Click preview to check top 3 results of search.
Result for Substance
<Preview Results>
Preview Results to show the top 3 results of the search 21

21. Result Page
In Reaxys, you have many choices of Filter function to narrow and target your research, also, all the results, substance information, reaction information and document search are well linked. 22

22. Result Page Ranking criteria ③Experiment procedure. ⑥ 切換結果排序方式
Reaxys ranking
No of references
Reactant availability
Product availability
MW of product
Yield
Publication year 23

23. Result Page
Filters
Filter function not only helps scientist to narrow their search, also provide more insight for the research trends. ④
Fliter 24

24. Result Page Experimental Procedure Show Reference
Show the detail procedure which is same as the original content from paper
Show Reference 25

25. Result Page
Click Full text to link to the download page. 26

26. Result Page
Click show details to link to document search page. Under this page, you can read Abstract, check index terms and all the substances and reaction have been mentioned under this article. 27 27

27. Result Page Click any author to link to Scopus.
Scopus can provide more insight about the citation info and publication trend. 28

28. Quick Search: Substance property

29. Define the Search Question: Solubility of Gefitinib
Gefitinib is an EGFR inhibitor, like erlotinib, which interrupts signaling through the epidermal growth factor receptor (EGFR) in target cells. Therefore, it is only effective in cancers with mutated and overactive EGFR
Type in Solubility of Gefitnib in the search bar

30. Result Page Two kind of result shows up: Substance and Document
<Preview Results>

31. Result
Hit data help you to quick get the answer of the searching

32. Result
By reviewing the Physical Data, you can easily check all the substance properties.

33. Result
For the Spectra data, the text overview is excerpted from paper

34. Result
Click Document to link to Document search fileds.

35. Result Unique indexing and sorting system: Reaxys Tree
Through Reaxys tree, you can easily find highly related document under specific scientific questions such as physical chemical properties, analysis methods, transformations, and quantum calculation.

36. Synthesis Planner

37. Retrosynthesis Analysis
Synthesis Planner：
A quick and exportable way for scientist to set up a retrosynthesis plan.
Several method to get the synthesis plan by manually selecting or Auto suggestion.
Easily to start the plan through either reaction search or substance search.
Example：Setup a synthesis plan of Omeprazole
Start from Reaction Search,
Click when selecting a proper reaction.
Choose either Manually or Autoplan for Synthesis Planner 38

38. Synthesis Planner Autoplan 5 plans will be suggested.
Click show condition to get more detail for the yield and other crucial information. 39

39. Synthesis Planner Manually Tick the reaction to add it to Syn-plan.
Set-up the retrosynthesis plan step by step through same process. 40

40. Set Alert and Export the data.

41. Export the Data Export Page：
Searching data can be exported to PDF, XML, Word or Excel files.
Click 「Export」 after tick the results which you want to export.
Export Page：
Set export type, range, and content, then click Export. 42

42. Export the Data
The Export progress will be shown in the bottom of the page.
Once the system finalize your export, click “Download” bottom.
After download, don’t for get to click “Cancel” . Make sure you click “Cancel“ before the next export. Otherwise the export process will be interrupted. 43

43. Export the Data Export Detail Choose a format
PDF/Print
XML
Microsoft Word
Microsoft Excel
Electronic Lab Netbook
RD File
SD/Molfile
Smiles
Range- Max data in one time
Export
All available data
Identification data only
Hit data only
Choose sepcific data
Additional option：
Include structure
Include a description in the document 44
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44. Save the Searching History
The searching history will be cleaned up after closing the browser.
In order to save the searching history, please sign in the personal ID and login the system before every searching.
Click “History”, choose the record you want to save in the Recent page and press “Save”
Define the searching (no language limited)
Next time you can find this searching record through your personal saving page. 45

45. Alert Fuction Please login your personal ID to get the Alert function46

46. Alert功能的設定及管理 Detial of Alert setup Managing the Alert Alert name
Send alerts to: 可同時輸入多組
Frequency: 通知頻率
After each update
Monthly
Deactivate
From databases
Managing the Alert
Click 　　, to enter your alert page
Click Edit and Delete to change the setting of each record. 47

47. Query Builder

48. Query Builder(1/5) ③ ② ① Click Query Builder to enter below page
Query Canvas
Searching criteria (Structure, molecular formula, CAS#, Doc index)
Question Set. 49

49. Query Builder(2/5)
Define your question through single question set in Fields.

50. Query Builder(3/5)

51. Query Builder(4/5)
Default Questionnaire for your chemistry question: Forms

52. Reaxys Reaction Form中的預設模組

53. Query Builder(5/5)
Reaxys also allow cross link search through searching History.

54. Query Builder Case Studies Searching for a complex question
Cross link search

55. Case Study: Complex Question
Example：
If…..
you want to find a substance which has below feature.
Complex structure with 30 carbons
Can be extract from Nature product
Resistant for microbial
Double click Molecular Formula to includes this searching criterial to the canvas
Use wildcard to define the open question. 56
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56. Case Study: Complex Question
Using searching tool in right files to find one searching criterial called Isolation from Natural Product
Set AND between two questions. 57

57. Case Study: Complex Question
Find Substance Basic Index in fields
Type in “antimicrobi*”
Click Find Substance 58
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58. Case Study: Complex Question59

59. Case Study 2: Corss Link the History search
Example：
If……you want to
Search the preparation method for Isoquinoline, but the reactants of reaction can not be Isoquinoline derivatives ? ①
Create 2 search history via Quick Search.
Search the preparation method for Isoquinoline
Search the reaction which starts from Isoquinoline and it’s derivatives
＊Tip, search for substructures.
* In order to preserve the record, after each searching, don’t forget to press view result bottom. ② 60

60. Case Study 2: Cross Link with History
Click Query Builder, then Click History.
Double click below to searching records.
① Reaction for Isoquinoline preparation
② Reaction for Isoquinoline and its derivatives as reactants. ② ① 61

61. Case Study 2: Cross Link with History
Select Not to exclude the second search results.
結果例 62
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62. Thanks you for your attention, Please kindly fill in below survey
很感謝大家今天來聽這場簡報，大家在研究過程中常會碰到問題，如何有效使用身邊資源就是1個幫助大家快速突破的契機，就像查詢資料一樣，Google很好用，可以查到很多資料，但大部分是沒有幫助的，如果你不想被太多雜訊干擾，不如使用專業的資料庫來查詢，就像Reaxys一樣，如果各位沒有其他問題，再次謝謝你們今天來。
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