Introduction to Reaxys

Christine FlemmingElsevier Product Training ManagerOctober 15, 2013

INTRODUCTION TO

REAXYS

Webinar presented October 15, 2013

Look for the slides and webinar recordings on SlideShare and YouTube

AGENDA

• INTRODUCTION

• THE REAXYS CHEMISTRY DISCOVERY ENGINE

• DEMO

• QUESTIONS

• 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

ACADEMIA & GOVERNMENTAcademic ResearchersPrincipal InvestigatorsPharmacologistsMedical ResearchersRegulatory AffairsClinical/Medical Researchers

CORPORATEMolecular BiologistsBio-informaticiansChemistsChem-informaticiansSafety PhamacologistsPhamacokineticistsRegulatory AffairsClinical ResearchersMedical AffairsPharmacovigilance

SERVING THE WHOLE LIFE SCIENCES COMMUNITY PART OF LIFE SCIENCE SOLUTIONS

A SUITE OF INTEROPERABLE, DOMAIN-SPECIFIC, DECISION SUPPORT TOOLSPART OF LIFE SCIENCE SOLUTIONS

TARGETINSIGHTS

PHARMAPENDIUM

EMBASE

QUOSA

PATHWAY STUDIO

REAXYS

REAXYS MEDICINAL CHEMISTRY

Learn/act on pre-clinical &clinical data (translational)

POST LAUNCHDISCOVERY PRE-

CLINICAL CLINICAL

Extract value from R&D data through custom services

SUITE OF DECISION SUPPORT TOOLS ADDRESSING KEY USE CASES

7

Identify, optimize and prioritize compounds

Professional Services

Characterize and discover molecules

Find and characterise targets

Understand Pathways/MoA

Organize and manage scientific literature

Post market tracking, Pharmaco-vigilance

THE REAXYS CHEMISTRY DISCOVERY ENGINE

KEY FEATURES

SUPPORTS ENTIRE WORKFLOW

ANSWERING YOUR QUESTIONS AT EVERY STAGE OF YOUR RESEARCH WORKFLOWSome 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.

UNDERSTANDKnow 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.

EXPERIMENTDesign 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.

REPORT & COMMUNICATEShare results with your

peers.

Gain insight and move on to new projects with

confidence.

Accelerate innovation and research progress.

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?”

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.

Facts

Facts

Facts

15,973 PERIODICALS COVERING• AGRICULTURAL AND

BIOLOGICAL SCIENCES

• BIOCHEMISTRY, GENETICS AND MOLECULAR BIOLOGY

• CHEMICAL ENGINEERING

• CHEMISTRY

• DENTISTRY

• EARTH AND PLANETARY SCIENCES

• ENERGY

• ENGINEERING

• ENVIRONMENTAL SCIENCE

• IMMUNOLOGY AND MICROBIOLOGY

• MATERIALS SCIENCE

• MEDICINE

• NEUROSCIENCE

• PHARMACOLOGY, TOXICOLOGY AND PHARMACEUTICS

• PHYSICS AND ASTRONOMY

• VETERINARY

REAXYS 2013

NOW REAXYS SOURCES RELEVANT CHEMISTRY INFORMATION FROM ADJACENT SCIENTIFIC FIELDS, BRINGING THEM WITHIN REACH OF THE

CHEMISTRY RESEARCHER

A UNIVERSE OF CHEMISTRY INFORMATION

CHEMISTRY RESEARCHE

R

CHEMISTRY• 400 CORE JOURNALS• RELEVANT CHEMISTRY

PATENTS• HISTORICAL CHEMISTRY

DATA (FROM 1771)

MANY WAYS TO ASK YOUR QUESTIONSHOME PAGE:

UNDERSTAND

EXPERIMENT

REPORT & COMMUNICA

TE

Data search form

by subject

Search using

chemical identifiers

Perform a literature

search

Open a structure

search form

AUTOMATES THE UNDERLYING PROCESSES IN CREATING SYNTHESIS ROUTESAUTOPLAN:

UNDERSTAND

EXPERIMENT

REPORT & COMMUNICA

TE

FIND MULTIPLE SYNTHESIS ROUTES TO THE NATURAL PRODUCT SHIKONIN

15

POWERFUL FILTER TO FIND WHAT YOU WANT IN JUST A FEW CLICKSANALYSIS VIEW:

UNDERSTAND

EXPERIMENT

REPORT & COMMUNICA

TE

ANALYSIS

GATHER AND PREPARE THE INFORMATIONREPORTING:

UNDERSTAND

EXPERIMENT

REPORT & COMMUNICA

TE

SHARE THE INFORMATIONREPORTING:

UNDERSTAND

EXPERIMENT

REPORT & COMMUNICA

TE

23

CREATE A REPORT

INTEGRATED. JUST HOW YOU LIKE IT

IN-HOUSE DATA: Seamless integration for maximized search efficiency

PUBCHEM: Includes biochem. & pharmaco information

COMMERCIAL AVAILABILITY: Data and purchasing possibilities

REAXYS APIs: Combine the quality data you get from Reaxys with in-house creativity to build new solutions tailor-made for your specific research interests

ELECTRONIC LAB NOTEBOOKS: Improve collaboration, minimize errors, save timeREAXYS STRUCTURE FLAT FILE: Incorporate information into data mining and internal search systems

DEMO

REACTION SEARCHING

21

Find one-pot synthesis of spiro-oxindoles

FIND ONE-POT SYNTHESIS OF SPIRO-OXINDOLES: RESULTS

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:

PATENTS

Reaction example:

Generalize the query

245 reactions, like these, are retrieved:

Which ones use manganese-containing catalysts?

Use “Analysis View” to limit the list to 79 reactions with manganese-containing catalysts.

What type of reactions are they?

Which Patent Assignees show up most frequently in this list of 79 reactions?

Who received patents with this type of reaction between 2000 – 2008?

Limit the list to rections found in patents

And then export the list in various formats, such as PDF.

SUBSTANCE SEARCHINGFinding a list of substances with the same biological activity

Find natural products with antimalarial activity

37

THANK YOUANY QUESTIONS?

Please complete the survey that appears at the end of this webinarThank you!

Next webinar:

Tomorrow, Oct. 16, 2013Reaxys Medicinal Chemistry10:00 AM – 10:45 AM EDTRegistration link:

https://www3.gotomeeting.com/register/614421950