intro reaxys
TRANSCRIPT
Reaxys 101
Jim Rinker, Customer Consultant, Elsevier
Webinar - 9/24/15
Who is Elsevier?
Solutions that help professionals
across industries make better
decisions, get better results and
be more productive P
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Elsevier
• Global market leader serving scientists,
students, health and information professionals
worldwide
• Founded over 130 years ago
• 6,900 employees in 60 offices in 25 countries
• Published 360,000+ articles in 2014
• Received 1,100,000+ submissions in 2014
• Work with over 30 million scientists, students,
health & information professionals
• 750 million full-text downloads
• Over 53 million items indexed by Scopus
• Over the last 50 years the majority of Noble
Laureates have published with Elsevier
• Elsevier is a founder of Research4Life which
gives more than 7,500 institutions across 100+
countries free or low cost access to almost
50,000 scientific resources
Elsevier: World Leader in Digital Solutions
Elsevier eBooks, Online
Journals, Databases
Publishes over 2,200
online journals & over
10,000 e-books
SOLUTIONS
Elsevier
R&D Solutions
Elsevier
Clinical Solutions
industry focused
information solutions
designed to solve the
critical needs of
researchers, engineers,
educators and R&D
professionals in the
sciences, technology and
commercial enterprise
Provides universities,
governments, and research
institutions with the
resources and insights to
improve institutional
research strategy,
management, and
performance.
Elsevier
Education
Helps medical
professionals apply trusted
data and sophisticated
tools to make better
clinical decisions, deliver
better care, and produce
better healthcare
outcomes.
Helps educate highly-
skilled, effective
healthcare
professionals, using
the most advanced
pedagogical tools and
reference works.
Elsevier
Research Intelligence
CONTENT
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REAXYS 2015 OVERVIEW
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A Bibliographic Database
>50 million records
(from ~16,000 journal titles plus records from key patent
organisations)
A Substance Database
>99 million substances (total integrated content)
~ 87 million substances (unique)
A Chemical Reaction Database
>39 million single- and multi-step reactions
A Property Database
> 500 million experimental properties
in > 400 fields in > 130 subject areas
Reaxys & RMC 2015
A Bioactivity
Database >29 million experimental
bioactivity data points
A Target
Database 12.700 targets incl.
species information
Reaxys
WHY REAXYS?
All Information
Relevant Information
Reaxys brings a fundamental shift in HOW to search for chemical information
TRADITIONAL DATABASE SEARCHES
1. Traditional database searches look for indexed terms in the title, abstract, and keywords of an article.
2. Substructure searches are powerful and directly link a publication and topic with chemical structures.
3. Searching for keywords often requires the searcher knows and inputs all terms into search string or articles will be missed!
4. If keywords are missing in publication, the article or patent may not be found!
5. Keyword searching gives searcher no ability to search for data in tables such as properties or bioactivity
CURATED DATABASE SEARCHING
“Information is only as good as your ability to find it”
All Information
Structures
Chemical Names
Keywords
Authors
Publication Type
Biological Targets
Bioactivity Data
Reaction Conditions
Molecular Formulas
Physical Properties
Spectral Properties
Plus Many More!
Relevant Information
Ability to Query Curated Fields
Structures
Chemical Names
Keywords
Authors
Publication Type
Biological Targets
Bioactivity Data
Reaction Conditions
Molecular Formulas
Physical Properties
Spectral Properties
REAXYS – MULTIPLE AVENUES TO FIND CHEMICAL REACTIONS
Structure
Mol. Formula (ex. C[10-25]*N[2-20]*)
Chemical Name (ex. Cellulose)
Reaction Type (ex. Polymerization)
Keyword (ex. Fluoresc*)
Reaction Basic Index (ex. Stille)
Reagent (ex. Palladium)
Plus Many More!
REAXYS – MULTIPLE AVENUES TO FIND CHEMICAL INFORMATION
Structure
Mol. Formula (ex. C[10-25]*N[2-20]*)
Chemical Name (ex. Polyethylene)
Spectral Data (ex. Abs Max)
Keyword (ex. Fluoresc*)
Physical Data (ex. Conductivity)
Plus Many More!
REAXYS – HIGHLY CURATED SEARCHABLE DATA
REAXYS - SUPERIOR KEYWORD INDEXING
Reaxys indexing finds exact desired terms and links them to synonyms table
REAXYS - SUPERIOR KEYWORD INDEXING
Terms not indexed, found only via manual curation
REAXYS ALLOWS YOU TO COMBINE HIT SETS
You can perform multiple searches in Reaxys then combine the hit sets to create a final result set.
REAXYS MOLECULAR FORMULA BUILDER
Reaxys allows you to build complex search queries using the molecular formula
REAXYS MOLECULAR FORMULA BUILDER
Reaxys allows you to create complex molecular formula searches and “sub”molecular formula seraches
Molecular Formula Query Result
MoCo Only MoCo
Mo*Co* Finds only MoCo plus any other combination of atoms
Mo[1-10]Co[1-10] Finds any catalysis with any combination of up to 10
molybdium atoms and up to 10 colbalt atoms
Mo[1-10]*Co[1-10]* Finds any catalysis with any combination of up to 10
molybdium atoms and up to 10 colbalt atoms plus any
other combination of atoms
REAXYS - SYNTHESIS PLANNER FOR RETROSYNTHESIS
MARVIN SKETCH – A ROBUST STRUCTURE DRAWING TOOL
Position Variation Atom Lists
Multi Center
Substitution Count Link Node
R Groups
Bond Topology
Reaction Center
A WEALTH OF SUBSTANCE KNOWLEDGE AT YOUR FINGERTIPS
USE FILTERS TO EASILY FIND ONLY THE DATA YOU WANT
USE HISTOGRAMS TO FIND HIDDEN CORRELATIONS
Histograms can be used to correlate multiple criteria
EASILY EXPORT DATA IN MULTIPLE FORMATS
A WEALTH OF REACTION KNOWLEDGE AT YOUR FINGERTIPS
USE FILTERS TO EASILY FIND ONLY THE REACTIONS YOU WANT
VIEWING HITS VIA CITATIONS TAB SUMMARIZES DATA
LIVE DEMO
