Reaxys - ChemAxon
Transcription
Reaxys - ChemAxon
25.05.2009 June 2009 Reaxys – Managing Complexity Dr. Jürgen Swienty-Busch ([email protected]) 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. 2 1 25.05.2009 Who develops Reaxys? • Elsevier – A global company • • • • • • 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 • • • CrossFire Beilstein since 1993 Patent Chemistry Database from concept to release in 2005 and CrossFire Gmelin since 1996 3 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 4 2 25.05.2009 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 5 Reaxys – Synthesis of compounds • How can I make chloro-substituted Biphenyl-4-ols? • Plan the synthesis... Commercial Availability Indicators 6 3 25.05.2009 Reaxys – Properties of Compounds • Where do I find NMR data of Sildenafil? • Create query structure using „Generate Structure from Name“ <add footer here via Master slide> May 10, 2009 ‹#› Reaxys – Properties of Compounds • Where do I find NMR data of Sildenafil? • Browse the result table Data available with a mouse click <add footer here via Master slide> May 10, 2009 ‹#› Context sensitive filters. Here: compound data 4 25.05.2009 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 <add footer here via Master slide> May 10, 2009 ‹#› 5 25.05.2009 Reaxys – Output Features • Supports various export formats • • • • • • • 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) 6 25.05.2009 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 • • • • 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. 13 Reaxys – Want to see more? • Visit us @ http://www.info.reaxys.com 7