Reaxys

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Reaxys The Highlights
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What is Reaxys?

• A brand new workflow solution for research
  chemists and scientists from related disciplines
• An extensive repository of reaction and substance
  property data
• A resource for validated measured data unified
  and merged to comparative tabular overviews
  (Substance Reaction Profiles)
• An application integrating reaction and substance
  data search with a synthesis planner -developed
  to support the optimization of synthetic
  processes.
• Intelligent ranking and filtering tools to
  immediately determine the best - most relevant
  hit
• An intuitive web-interface that makes synthetic
  chemistry, drug research and related discovery
  more efficient, and helps to achieve better
  results
• No user limits flat-rate fee for
  company-/institution-wide access
• Simply access at www.reaxys.com

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Who is Reaxys for?
Reaxys supports the discovery process in research
chemistry and related disciplines
Process engineers Chemical engineers
Medicinal chemists Cheminformatics
Synthetic chemists
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Value for synthetic chemists

• Find relevant reactions fast using a superior
  extensive reaction source
• based on the merged and unified content of the
  three prestigious databases CrossFire Beilstein,
  CrossFire Gmelin and Patent Chemistry Database
• including historical content poorly covered
  elsewhere journal literature (1771- ), patent
  literature (1869 -)
• Avoid manual data accumulation by using chemistry
  as organizing principle
• Reactions with the same reaction scheme, but
  different conditions extracted from different
  publications are merged to one reaction profile
  in form of a comparative tabular overview
• Immediately validate reaction data with reaction
  procedure texts extracted from patent
  publications and reaction data on the desktop

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A superior reaction source No manual data
accumulation anymore
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Value for synthetic chemists

• Save costs - find the best most
  efficient/economic reaction fast
• using intelligent ranking and filtering tools
  e.g. rank by yield, limit to popular commercially
  available reagents
• decide which substances to synthesize and which
  to buy based on facts Commerial availability
  flags link to supplier data (pricing, packaging)
  enable you to select the most economic way to
  your target molecules.
• Develop the most efficient synthesis strategy
  Search reactions across publications and use the
  Synthesis Planner to select and add the best
  reactions to a multi-step-synthesis strategy
• Identify products fast by comparing your own data
  with measured physical and spectral data from
  Reaxys

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Find the best hits fast using intelligent
ranking and filtering techniques
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Synthesis planner to develop your own synthesis
strategy
Add reaction methods from different publications
to createyour own synthesis strategy.
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Identify products fast by viewing measured
spectral and physical data
Measured spectral peaks e.g. NMR shifts
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Who is Reaxys for?

• Reaxys supports the discovery process in research
  chemistry and related disciplines

Process engineers Chemical engineers
Medicinal chemists Cheminformatics
Synthetic chemists
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Value for medicinal chemists and chemInformatics

• Avoid unneccessary experiments due to erroneous
  calculated data by using experimentally measured
  substance data delivered to the desktop
• Avoid cumbersome manual data collection by using
  Substance Profiles accumulating all data of a
  single substance into one record
• Compare easily the influences of the substance
  structure on the substance property data
• by exporting structures with their data to
  structure-data-tables (EXCEL, WORD)
• by merging Reaxys data with internal/external
  data using formats like RDF (Reaction-Data-File),
  SDF (Structure-Data-File), MolFiles, Smiles, XML
  
• Explore related concepts in other publications by
  linking to the cited by information in Scopus

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Avoid unneccessary experiments by using a huge
variety of deeply indexed measured substance data

• Measured values for
• Solubility
• Partition coefficient octanol/water logP
• Dissociation exponent pKa
• Bioactivity data (e.g. IC/EC, Ki/Kd)
• Toxicological data

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Compare easily influences of substance structures
on related substance data
by exporting structures with their data to
tables XLS, WORD, PDF
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Explore related concepts in other publications
link to cited by information in Scopus
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Who is Reaxys for?

• Reaxys supports the discovery process in research
  chemistry and related disciplines

Process engineers Chemical engineers
Medicinal chemists Cheminformatics
Synthetic chemists
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Value for chemical and process engineering
scientists

• Avoid unneccesary costly experiments having a
  huge variety of different measured substance
  property data on the desktop (not only core
  properties)
• Immediately validate reaction conditions and
  their relevance by viewing deeply indexed
  reaction data
• Yield, temperature, pressure, purification
• Reaction procedure text from patent publications
• Reaction heat (energy data)
• Avoid drawing chemical structures using Generate
  structure by name or search by name, CAS-RegNo,
  InChi-Key or sum formula

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Avoid unneccesary experiments by having a huge
variety of different substance data on the desktop
A selection of core properties in the query menu.
Many more properties in the field availaibility
lists of the hit substances.
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Avoid unneccesary experiments by having a huge
variety of different substance data on the desktop
Example for data available for a substance hit
set
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Immediately validate reaction conditions and
their relevance by viewing deeply indexed
reaction data
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Avoid structure drawing search by name,
CAS-RegNo or sum formula
Easy-to-use web-interface entering a name,
CAS-RegNo or InChi-Key generates a chemical
structure
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Reaxys value summary

• One-dashboard giving access to three
  well-accepted databases CrossFire Beilstein,
  CrossFire Gmelin and Patent Chemistry Database
• No manual data accumulation anymore chemistry
  as organizing principle -high-validated,
  experimental data merged to substance and
  reaction profiles
• Synthesis planner to design your own synthesis
  strategy
• Historical literature not available elsewhere -
  going back to 1771
• Find relevant hits faster due to intelligent
  analysis and ranking tools
• No user limits flat-rate fee for
  company-/institution-wide access
• Reduced training efforts due to a very intuitive
  web-application
• No maintenance efforts anymore Reaxys hosted by
  Elsevier
• Access your own library settings easily via
  OpenURL resolver

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Reaxys value summary cont.

• Reaxys
• Gives scientists access to a comprehensive and
  effective information source
• Helps scientists to find relevant data faster and
  easier
• Helps research scientists increase their output
• more projects, publications, patent applications
  with the same budget/staff
• Reaxys helps research scientists to be more
  successful in a shorter time and with less
  budget!
• Encourage chemists at your RD departments to
  find out more about Reaxys, give feedback or
  sign-up for the newsletter at www.info.reaxys.com

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• What is your Reaction?