Reaxys - ChemAxon

Transcription

Reaxys - ChemAxon
25.05.2009
June 2009
Reaxys – Managing Complexity
Dr. Jürgen Swienty-Busch (j.swienty-busch@elsevier.com)
What is Reaxys?
• Reaxys is
• Chemistry
• Covering more than 200 years of organic, organometallic and inorganic chemistry
• From journal articles and patents
• Based on CrossFire Beilstein, CrossFire Gmelin and Patent Chemistry Database
• Intuitive
• Easy to use web-interface, available anytime and anywhere without limits and
without installation needs
• ChemAxon MarvinView (high quality structure display) and MarvinSketch (featurerich query editor supporting Reaxys specials) are instrumental here
• Created from scientist for scientist
• The Workflow Solution
• Supporting scientists in life science and chemistry in industry and academia in their
daily work
• Providing decision support in finding relevant and validated chemical information
• Helping to reduce time and efforts in building synthesis plans
Copyright © 2009 Elsevier Properties SA. All rights reserved. Reaxys® is owned and
protected by Elsevier Properties SA and used under license.
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Who develops Reaxys?
• Elsevier – A global company
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2008 Revenues: ca $3 billion – Science and Technology (~$1.5b) and Health Sciences (~$1.5b)
Sales in 180+ countries
7,500 employees, 74 offices in 25 countries
Serving 30 million+ scientists, students, health and information professionals
1,800 journals and 2,200 new books each year
Publishes 25% of world’s journal articles
• Elsevier Information Systems GmbH Frankfurt
• Inventor of the CrossFire system
• Producer of
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CrossFire Beilstein since 1993
Patent Chemistry Database from concept to release in 2005
and CrossFire Gmelin since 1996
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Reaxys – Synthesis of compounds
• How can I make chloro-substituted Biphenyl-4-ols?
• Draw the Query using ChemAxon MarvinSketch...
Select interest area for querying
Define query options
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Reaxys – Synthesis of compounds
• How can I make chloro-substituted Biphenyl-4-ols?
• Browse the result...
Graphical Breadcrumb Navigation
Filter-based refinement
feature
Experimental Text from
patents
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Reaxys – Synthesis of compounds
• How can I make chloro-substituted Biphenyl-4-ols?
• Plan the synthesis...
Commercial Availability
Indicators
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Reaxys – Properties of Compounds
• Where do I find NMR data of Sildenafil?
• Create query structure using „Generate Structure from Name“
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Reaxys – Properties of Compounds
• Where do I find NMR data of Sildenafil?
• Browse the result table
Data available with a
mouse click
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Context
sensitive filters.
Here: compound data
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Reaxys – Properties of Compounds
• Where do I find NMR data of Sildenafil?
• Use „Zoom“ to see details of the structure with MarvinView...
Reaxys – Properties of Compounds
• Where do I find NMR data of Sildenafil?
• Click „Spectra“ to see the details...
Original peak details
from patents
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Reaxys – Output Features
• Supports various export
formats
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PDF
Microsoft Word
Microsoft Excel
XML
RD File
SD File
Smiles
• In selectable granularity
• With or without structures
• With all or selected data
Reaxys – Integration Features
• Link-In
• Reaxys URL can be equipped with parameters
Link-from Micrsoft Excel into Reaxys:
http://www.reaxys.com/reaxys/secured/hopinto.do?context=R&query=SMILES='C
CCCCC(=O)OC1=CC=CC=C1C(=O)OC'&qname=Asp2&options=product&ln=
• OpenURL support
• Reaxys Full Text linking supports inhouse literature resolving services (e.g.
SFX server)
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What is Reaxys?
• Reaxys is
• Chemistryy
• Data rich content covering the full range of chemistry: organic, organometallic and
inorganic compounds
• Intuitive
• Powerful yet easy-to-use
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Intuitive query formulation including Marvin Sketch as structure editor
Table-like results browsing for reactions, compounds and citations
Synthesis planner for tracing back synthesis paths
Feature rich export capabilities
• The Workflow Solution
• Providing relevant information at a fingertip
• Can be integrated in existing environments
Copyright © 2009 Elsevier Properties SA. All rights reserved. Reaxys® is owned and
protected by Elsevier Properties SA and used under license.
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Reaxys – Want to see more?
• Visit us @ http://www.info.reaxys.com
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