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Reaxys – The Foundation for Chemistry Research
Michael Maier, Marcus Stamm – Nice, 08 April 2019
Reaxys Overview
|3
We have a long history in providing chemistry information
and driving new developments
1817: First edition of
Gmelin Handbook
1881: First
edition of
Beilstein
Handbook
1988: First
substance
loaded into
Beilstein
database
2009: Reaxys
launched
1989: Beilstein
and Gmelin
database go
online
2013/2014:
Complete overhaul
of Reaxys and
content expansion
including RMC
2017: New
Reaxys
Medicinal
Chemistry
(RMC) module
2016: New
Reaxys
launched
|4
The core of our philosophy: Reaxys aims to deliver
immediate access to information
… Reaxys aims to deliver relevant
answers on the spot:
• References ranked by relevance
• Reactions with experimental details
• Substances with extensive properties
Instead of delivering lists of
references that may be relevant to a
query…
?
?
?
?
Focus on using information, not searching for information
|5
Our Chemistry solution - Reaxys and Reaxys Medicinal
Chemistry - comprises 6 core databases
5
Bibliographic
Database
>59 million records
(from ~16,000 journal
titles plus records from
key patent
organizations)
Substance
Database
>146 million
substances (total
integrated content)
~ 118 million
substances
(unique)
Chemical
Reaction
Database
>49 million single- and
multi-step reactions
Property
Database
> 500 million
experimental properties
in > 400 fields
in > 130 subject areas
Bioactivity
Database
>37 million experimental
bioactivity data points
Target
Database
12.700 targets incl.
species information
Data extraction
|7
Manual data extraction
Reaxys covers most of the chemical space by manual data extraction
Reaxys manually extracts data from 421 journals and 7 patent offices.
To reduce overhead only relevant articles are sent to manual data extraction.
Relevancy of documents is determined by tools using machine learning, trained
for each content source individually.
110 k journal articles and 50 k patents are processed manually each year
|8
Automatic data extraction
Reaxys covers the chemical space and adjacent areas by automatic data extraction
Reaxys automatically extracts data from 15 k journals and 2 patent offices.
Substances and Reaxys Keywords are extracted by the automatic process.
2.2 mio journal articles, 150 k conference papers and 80 k patents are
processed automatically each year.
Extraction of substances and keywords is done based on relevancy,
determined for each entity in a document
Automatic identification of relevant chemical compounds from patents,
Akhondi, S. et al., Database, 2019, p. 1-14, doi: 10.1093/database/baz001
Quick search
Quick Search in Reaxys
Searches by text, structures or combinations of both possible
Natural language
Google-like input
Chemical Structures
Quick search identifies the expected search context
Reaxys contains several different types of databases that are searchable
Get intended answers directly, no pre-selection of a search context required
Documents Substances Reactions
Quick search translates user queries into search
queries
Quick search translates a user query into a technical search query for Reaxys
Users can create automatically complex searches
without detailed knowledge of the database
Quick search offers smart search options &
alternatives
Substance name search
Keyword search
Get intended answers as well as useful search alternatives
Quick search supports different types of patent
numbers
Flexible search for patent numbers
Patent number in the database: WO2013/10003
Other search possibilities
WO201310003A1
WO201310003 (A1)
WO 2013 10003
WO2013/10003
WO 2013/010003 A
WO201310003
Automated normalization of user query so that results are found in the database
Outlook
|16
Three strategic themes guide our roadmap to further
enhance our chemistry solution
“Chemistry
Ecosystem”
Support and build an
interconnected
“Chemistry Ecosystem”
enabling seamless
workflow solutions for
our customers: from
data integration and
search to analytics,
export and
data sharing
“Advanced
Analytics”
Maximize value of
experimental data
collections by building
and enabling
predictive modelling
applications
to gain new insights
“Segment
Solutions”
Provide access to all
relevant and reliable
content, concepts and
tools for a specific use
case and segment
Thank you very much for listening…

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IC-SDV 2019: Elsevier

  • 1. Reaxys – The Foundation for Chemistry Research Michael Maier, Marcus Stamm – Nice, 08 April 2019
  • 3. |3 We have a long history in providing chemistry information and driving new developments 1817: First edition of Gmelin Handbook 1881: First edition of Beilstein Handbook 1988: First substance loaded into Beilstein database 2009: Reaxys launched 1989: Beilstein and Gmelin database go online 2013/2014: Complete overhaul of Reaxys and content expansion including RMC 2017: New Reaxys Medicinal Chemistry (RMC) module 2016: New Reaxys launched
  • 4. |4 The core of our philosophy: Reaxys aims to deliver immediate access to information … Reaxys aims to deliver relevant answers on the spot: • References ranked by relevance • Reactions with experimental details • Substances with extensive properties Instead of delivering lists of references that may be relevant to a query… ? ? ? ? Focus on using information, not searching for information
  • 5. |5 Our Chemistry solution - Reaxys and Reaxys Medicinal Chemistry - comprises 6 core databases 5 Bibliographic Database >59 million records (from ~16,000 journal titles plus records from key patent organizations) Substance Database >146 million substances (total integrated content) ~ 118 million substances (unique) Chemical Reaction Database >49 million single- and multi-step reactions Property Database > 500 million experimental properties in > 400 fields in > 130 subject areas Bioactivity Database >37 million experimental bioactivity data points Target Database 12.700 targets incl. species information
  • 7. |7 Manual data extraction Reaxys covers most of the chemical space by manual data extraction Reaxys manually extracts data from 421 journals and 7 patent offices. To reduce overhead only relevant articles are sent to manual data extraction. Relevancy of documents is determined by tools using machine learning, trained for each content source individually. 110 k journal articles and 50 k patents are processed manually each year
  • 8. |8 Automatic data extraction Reaxys covers the chemical space and adjacent areas by automatic data extraction Reaxys automatically extracts data from 15 k journals and 2 patent offices. Substances and Reaxys Keywords are extracted by the automatic process. 2.2 mio journal articles, 150 k conference papers and 80 k patents are processed automatically each year. Extraction of substances and keywords is done based on relevancy, determined for each entity in a document Automatic identification of relevant chemical compounds from patents, Akhondi, S. et al., Database, 2019, p. 1-14, doi: 10.1093/database/baz001
  • 10. Quick Search in Reaxys Searches by text, structures or combinations of both possible Natural language Google-like input Chemical Structures
  • 11. Quick search identifies the expected search context Reaxys contains several different types of databases that are searchable Get intended answers directly, no pre-selection of a search context required Documents Substances Reactions
  • 12. Quick search translates user queries into search queries Quick search translates a user query into a technical search query for Reaxys Users can create automatically complex searches without detailed knowledge of the database
  • 13. Quick search offers smart search options & alternatives Substance name search Keyword search Get intended answers as well as useful search alternatives
  • 14. Quick search supports different types of patent numbers Flexible search for patent numbers Patent number in the database: WO2013/10003 Other search possibilities WO201310003A1 WO201310003 (A1) WO 2013 10003 WO2013/10003 WO 2013/010003 A WO201310003 Automated normalization of user query so that results are found in the database
  • 16. |16 Three strategic themes guide our roadmap to further enhance our chemistry solution “Chemistry Ecosystem” Support and build an interconnected “Chemistry Ecosystem” enabling seamless workflow solutions for our customers: from data integration and search to analytics, export and data sharing “Advanced Analytics” Maximize value of experimental data collections by building and enabling predictive modelling applications to gain new insights “Segment Solutions” Provide access to all relevant and reliable content, concepts and tools for a specific use case and segment
  • 17. Thank you very much for listening…