Introduction to Reaxys
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This document provides an overview and agenda for a webinar introducing Reaxys, a chemistry discovery engine. The webinar covers the key features of Reaxys, including its ability to help answer questions across the chemistry research workflow from understanding what is known to designing experiments. It demonstrates how Reaxys can be used to search for reactions, substances, and patents. The webinar highlights Reaxys' integration with other tools and data sources to provide a powerful suite of decision support solutions for researchers.
Introduction to Reaxys
- 1. INTRODUCTION TO REAXYS Webinar presented October 15, 2013 Christine Flemming Elsevier Product Training Manager October 15, 2013
- 2. Look for the slides and webinar recordings on SlideShare and YouTube
- 3. AGENDA • INTRODUCTION • THE REAXYS CHEMISTRY DISCOVERY ENGINE • DEMO • QUESTIONS
- 4. • The workflow solutions that leading chemists prefer to use • 95% of the largest pharmaceutical R&D organizations and 70 of the top 100 chemistry universities have already chosen Reaxys • Powerful solutions across the entire chemistry workflow • Designed by chemists to help chemists of all kinds in all sectors, advance more quickly and confidently through their research
- 5. PART OF LIFE SCIENCE SOLUTIONS SERVING THE WHOLE LIFE SCIENCES COMMUNITY ACADEMIA & GOVERNMENT CORPORATE Academic Researchers Principal Investigators Pharmacologists Medical Researchers Regulatory Affairs Clinical/Medical Researchers Molecular Biologists Bio-informaticians Chemists Chem-informaticians Safety Phamacologists Phamacokineticists Regulatory Affairs Clinical Researchers Medical Affairs Pharmacovigilance
- 6. PART OF LIFE SCIENCE SOLUTIONS A SUITE OF INTEROPERABLE, DOMAIN-SPECIFIC, DECISION SUPPORT TOOLS TARGETINSIGHTS REAXYS PATHWAY STUDIO PHARMAPENDIUM REAXYS MEDICINAL CHEMISTRY EMBASE QUOSA
- 7. SUITE OF DECISION SUPPORT TOOLS ADDRESSING KEY USE CASES Understand Pathways/MoA Find and characterise targets DISCOVERY 7 Characterize and discover molecules Identify, optimize and prioritize compounds PRE-CLINICAL Learn/act on preclinical &clinical data (translational) CLINICAL Post market tracking, Pharmacovigilance POST LAUNCH Professional Services Extract value from R&D data through custom services Organize and manage scientific literature
- 8. THE REAXYS CHEMISTRY DISCOVERY ENGINE KEY FEATURES
- 9. SUPPORTS ENTIRE WORKFLOW ANSWERING YOUR QUESTIONS AT EVERY STAGE OF YOUR RESEARCH WORKFLOW Some of the key questions that Reaxys will help answer: • • • • • • Does a compound exist? What is known about the compound? Is this compound commercially available? How to synthesize this compound? What is known about this area of research? Who else is working on this compound or reaction type? Reaxys gives relevant and actionable answers and allows you to move your research forward. UNDERSTAND Know and understand what others have done and how. Access the relevant and actionable information quickly with a dedicated solution. Discover information you didn’t realize you were missing. REPORT & COMMUNICATE Share results with your peers. Gain insight and move on to new projects with confidence. Accelerate innovation and research progress. EXPERIMENT Design experiments without wasting time. Get existing compounds or find out how to synthesize them. Use experimentally measured data to move your research forward more quickly.
- 10. WHAT ARE SOME OTHER QUESTIONS REAXYS CAN ANSWER? “How can I find reactions where an aryl halide has been transformed into an aryl ketone?” “How can I search for superconducting substances containing Barium, Yttrium, and Copper?” “How can I get pharmacokinetic data (Cmax or AUC) for substances with this substructure that have undergone preclinical or clinical evaluation?” “I have a list of natural products and I’d like to know if any of them contain antimalarial activity. How can I do this in Reaxys?” 10
- 11. A UNIVERSE OF CHEMISTRY INFORMATION REAXYS 2013 NOW REAXYS SOURCES RELEVANT CHEMISTRY INFORMATION FROM ADJACENT SCIENTIFIC FIELDS, BRINGING THEM WITHIN REACH OF THE CHEMISTRY RESEARCHER 15,973 PERIODICALS COVERING CHEMISTRY • AGRICULTURAL AND BIOLOGICAL SCIENCES • 400 CORE JOURNALS • RELEVANT CHEMISTRY PATENTS • HISTORICAL CHEMISTRY DATA (FROM 1771) • BIOCHEMISTRY, GENETICS AND MOLECULAR BIOLOGY • CHEMICAL ENGINEERING • CHEMISTRY CHEMISTRY RESEARCHER • DENTISTRY • EARTH AND PLANETARY SCIENCES • ENERGY • ENGINEERING • ENVIRONMENTAL SCIENCE • IMMUNOLOGY AND MICROBIOLOGY • MATERIALS SCIENCE Extract title and abstract enabling researchers to do extended bibliographic search across all scientific domains. Providing access to journals you wouldn’t consider searching for. • MEDICINE • NEUROSCIENCE • PHARMACOLOGY, TOXICOLOGY AND PHARMACEUTICS Facts • PHYSICS AND ASTRONOMY • VETERINARY Facts Facts
- 12. HOME PAGE: MANY WAYS TO ASK YOUR QUESTIONS UNDERSTAND REPORT & COMMUNICATE EXPERIMENT Data search form by subject Open a structure search form Search using chemical identifiers Perform a literature search
- 13. AUTOPLAN: AUTOMATES THE UNDERLYING PROCESSES IN CREATING SYNTHESIS ROUTES UNDERSTAND REPORT & COMMUNICATE EXPERIMENT
- 14. FIND MULTIPLE SYNTHESIS ROUTES TO THE NATURAL PRODUCT SHIKONIN
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- 16. ANALYSIS VIEW: POWERFUL FILTER TO FIND WHAT YOU WANT IN JUST A FEW CLICKS UNDERSTAND REPORT & COMMUNICATE EXPERIMENT
- 17. ANALYSIS
- 21. REPORTING: GATHER AND PREPARE THE INFORMATION UNDERSTAND REPORT & COMMUNICATE EXPERIMENT
- 22. REPORTING: SHARE THE INFORMATION UNDERSTAND REPORT & COMMUNICATE EXPERIMENT
- 29. INTEGRATED. JUST HOW YOU LIKE IT IN-HOUSE DATA: REAXYS APIs: Seamless integration for maximized search efficiency Combine the quality data you get from Reaxys with in-house creativity to build new solutions tailormade for your specific research interests PUBCHEM: Includes biochem. & pharmaco information COMMERCIAL AVAILABILITY: Data and purchasing possibilities ELECTRONIC LAB NOTEBOOKS: Improve collaboration, minimize errors, save time REAXYS STRUCTURE FLAT FILE: Incorporate information into data mining and internal search systems
- 30. DEMO
- 31. REACTION SEARCHING Find one-pot synthesis of spiro-oxindoles 1 2
- 32. FIND ONE-POT SYNTHESIS OF SPIRO-OXINDOLES: RESULTS
- 33. PATENTS I would like to find patents containing information on the oxidative cleavage of c-c bonds (like those found in styrene) into carboxylic acids using manganese-containing catalysts. Then I want to export the list in a PDF: Reaction example: Generalize the query
- 34. 245 reactions, like these, are retrieved: Which ones Use “Analysis View” to limit the catalysts? use manganese-containing list to 79 reactions with manganese-containing catalysts. What type of reactions are they?
- 35. Which Patent Assignees show up most frequently in this list of 79 reactions? Who received patents with this type of reaction between 2000 – 2008?
- 36. Limit the list to rections found in patents And then export the list in various formats, such as PDF.
- 37. SUBSTANCE SEARCHING Finding a list of substances with the same biological activity Find natural products with antimalarial activity 37
- 38. THANK YOU ANY QUESTIONS? Next webinar: Tomorrow, Oct. 16, 2013 Reaxys Medicinal Chemistry 10:00 AM – 10:45 AM EDT Registration link: https://www3.gotomeeting.com/register/614421950 Please complete the survey that appears at the end of this webinar Thank you!