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AND TO MAKE A DECISION ON WHICH EXPERIMENT TO DO, YOU WANT TO ORGANIZE YOUR CONTENT, NORMALIZE AND COMPARE, TO UNDER-STAND WHICH COMPOUND INTERACTS WITH WHICH TARGET AND TRIGGER WHICH BIOLOGICAL EFFECT—THAT'S A LOT OF MANUAL WORK!
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AND TO MAKE A DECISION ON WHICH EXPERIMENT TO DO, YOU WANT TO ORGANIZE YOUR CONTENT, NORMALIZE AND COMPARE, TO UNDER- STAND WHICH COMPOUND INTERACTS WITH.

Dec 18, 2015

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Page 1: AND TO MAKE A DECISION ON WHICH EXPERIMENT TO DO, YOU WANT TO ORGANIZE YOUR CONTENT, NORMALIZE AND COMPARE, TO UNDER- STAND WHICH COMPOUND INTERACTS WITH.

AND TO MAKE A DECISION ON WHICH EXPERIMENT TO DO, YOU WANT TO ORGANIZE YOUR CONTENT, NORMALIZE AND

COMPARE, TO UNDER-STAND WHICH COMPOUND INTERACTS WITH WHICH TARGET AND TRIGGER WHICH BIOLOGICAL EFFECT—THAT'S A LOT OF MANUAL WORK!

Page 2: AND TO MAKE A DECISION ON WHICH EXPERIMENT TO DO, YOU WANT TO ORGANIZE YOUR CONTENT, NORMALIZE AND COMPARE, TO UNDER- STAND WHICH COMPOUND INTERACTS WITH.

REAXYS MEDICINAL CHEMISTRY

Reaxys Medicinal Chemistry excerpts all the relevant Quantitative data

ESSENTIAL INFORMATION: 100+ EXPERIMENTAL FIELDS

Page 3: AND TO MAKE A DECISION ON WHICH EXPERIMENT TO DO, YOU WANT TO ORGANIZE YOUR CONTENT, NORMALIZE AND COMPARE, TO UNDER- STAND WHICH COMPOUND INTERACTS WITH.

REAXYS MEDICINAL CHEMISTRY

THE WORLD OF MEDICINAL CHEMISTRY AT YOUR FINGERTIPS

ESSENTIAL INFORMATION

• 2.4 M chemical compounds• 9 M biological experimental

results• 5100 Pharmacological targets

REAXYS MEDICINAL CHEMISTRY:THE MOST POWERFUL AND VERSATILE MEDICINAL CHEMISTRY DISCOVERY ENGINE

RELEVANT ANSWERS

• Chemistry driven searches(Substructure/Similarity)

• Pharmacology driven searches (Target, Cell, Bioassay)

• Taxonomies-driven searches

ACTIONABLE

• Intuitive and powerful user-interface

• No access barrier• Flexible export

(Manageable by user)

Page 4: AND TO MAKE A DECISION ON WHICH EXPERIMENT TO DO, YOU WANT TO ORGANIZE YOUR CONTENT, NORMALIZE AND COMPARE, TO UNDER- STAND WHICH COMPOUND INTERACTS WITH.

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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 COMPOUNDOR 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 & COMMUNICATE

Share results with your peers.

Gain insight and move on to new projects with

confidence.Accelerate innovation and research progress

REAXYS; CHEMISTRY DISCOVERY ENGINE

SUPPORTS ENTIRE SCIENTIST WORKFLOW

Page 5: AND TO MAKE A DECISION ON WHICH EXPERIMENT TO DO, YOU WANT TO ORGANIZE YOUR CONTENT, NORMALIZE AND COMPARE, TO UNDER- STAND WHICH COMPOUND INTERACTS WITH.

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Experimental procedures

Synthesis planner

Markush viewer

Similarity searching

Reaxys Structure Flat File

Reaxys APIs

ELN interoperability

eMolecules integration

PubChemintegration

Content Expansion& Indexing

Anaylsis and reporting

2009 2010 2011 2012 2013 2014

Reaxys Tree

Ask Reaxys smart search

Molecular FormulaBuilder

CONTINUOUS INNOVATION

BY CHEMISTS FOR CHEMISTS

Page 6: AND TO MAKE A DECISION ON WHICH EXPERIMENT TO DO, YOU WANT TO ORGANIZE YOUR CONTENT, NORMALIZE AND COMPARE, TO UNDER- STAND WHICH COMPOUND INTERACTS WITH.

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A Bibliographic

Database>46 million records

(from ~16,000 journal titles plus records from

key patent organisations)

A Substance Database

> 78 million substances (total)

~ 57 million substances (unique)

A Chemical Reaction Database

> 36 million single- and multi-step reactions

A Property Database

> 500 million experimental properties in > 400 fields in >

130 subject areas

Reaxys 2014

CONTENT: MANY DATABASES ALL IN ONEREAXYS 2014?

Page 7: AND TO MAKE A DECISION ON WHICH EXPERIMENT TO DO, YOU WANT TO ORGANIZE YOUR CONTENT, NORMALIZE AND COMPARE, TO UNDER- STAND WHICH COMPOUND INTERACTS WITH.

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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

Page 8: AND TO MAKE A DECISION ON WHICH EXPERIMENT TO DO, YOU WANT TO ORGANIZE YOUR CONTENT, NORMALIZE AND COMPARE, TO UNDER- STAND WHICH COMPOUND INTERACTS WITH.
Page 9: AND TO MAKE A DECISION ON WHICH EXPERIMENT TO DO, YOU WANT TO ORGANIZE YOUR CONTENT, NORMALIZE AND COMPARE, TO UNDER- STAND WHICH COMPOUND INTERACTS WITH.

First product to offer both searchable FDA approval packages and EMEA EPARs

Over 1.7M newly-searchable pages covering all of FDA history, over 50 years, and all EMEA content.

First product to bring together:

• preclinical, clinical & post marketing safety

• Normalized terminology on searches, extracted data.

• Which experimental data translates, which does not and why?

• Over 2 million extracted drug safety and PK observations

• Normalized AE/Tox terminology mapped to Class, Target, Structural Chemistry.

PHARMAPENDIUM

Page 10: AND TO MAKE A DECISION ON WHICH EXPERIMENT TO DO, YOU WANT TO ORGANIZE YOUR CONTENT, NORMALIZE AND COMPARE, TO UNDER- STAND WHICH COMPOUND INTERACTS WITH.

FDA APPROVAL PACKAGES: EXAMPLES OF ORIGINAL

DOCUMENTS

Page 11: AND TO MAKE A DECISION ON WHICH EXPERIMENT TO DO, YOU WANT TO ORGANIZE YOUR CONTENT, NORMALIZE AND COMPARE, TO UNDER- STAND WHICH COMPOUND INTERACTS WITH.

PHARMAPENDIUM MAKE BETTER DECISIONS

Page 12: AND TO MAKE A DECISION ON WHICH EXPERIMENT TO DO, YOU WANT TO ORGANIZE YOUR CONTENT, NORMALIZE AND COMPARE, TO UNDER- STAND WHICH COMPOUND INTERACTS WITH.

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PHARMAPENDIUM

PATHWAY STUDIOTARGETINSIGHTS

EMBASE QUOSA

MEDSCAN

TAXONOMIES

(CONTENT) INTEGRATI

ON

TEXT MINING

A VISION FOR INTEROPERABILITY

• Returns compounds with action on target

• Sort by compounds that inhibit the target

• Any result mapping to PharmaPendium indicates more data is available

• Attach adverse event data to compounds found in Reaxys Medicinal Chemistry with adverse events of known drugs containing the compound

• User analyzes pathways for a drug

• User ID’s potential adverse event in which a compound inhibits a secondary target

Search all Reaxys Medicinal Chemistry compounds via Pathway Studio that inhibit the target

Get adverse event data for known drug with compound

Compound/target pair results sent back to Pathway Studio

Return adverse event data

Page 13: AND TO MAKE A DECISION ON WHICH EXPERIMENT TO DO, YOU WANT TO ORGANIZE YOUR CONTENT, NORMALIZE AND COMPARE, TO UNDER- STAND WHICH COMPOUND INTERACTS WITH.
Page 14: AND TO MAKE A DECISION ON WHICH EXPERIMENT TO DO, YOU WANT TO ORGANIZE YOUR CONTENT, NORMALIZE AND COMPARE, TO UNDER- STAND WHICH COMPOUND INTERACTS WITH.

MINIMIZING RISK IN PHARMACOVIGILANCE

Page 15: AND TO MAKE A DECISION ON WHICH EXPERIMENT TO DO, YOU WANT TO ORGANIZE YOUR CONTENT, NORMALIZE AND COMPARE, TO UNDER- STAND WHICH COMPOUND INTERACTS WITH.

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PHARMACOVIGILANCE

• Pharmacovigilance (PV) is defined as the science and activities relating to the detection, assessment, understanding and prevention of adverse effects or any other drug-related problem.

• Increasingly important in today’s world of big data analysis and regulation

Page 16: AND TO MAKE A DECISION ON WHICH EXPERIMENT TO DO, YOU WANT TO ORGANIZE YOUR CONTENT, NORMALIZE AND COMPARE, TO UNDER- STAND WHICH COMPOUND INTERACTS WITH.

• sends ICSRs frequently (monthly, or at least once a quarter)

• sends over 200 reports per million inhabitants per year

• sends reports from different areas - geographical and medical

• sends reports from vaccination and other public health programmes

• sends reports containing traditional medicines (herbals)

• sends reports with as much information as possible

• has performed a causality assessment of the reports.

In addition there are quality assurance guidelines related to file format (preferably ICH E2B format), correct position of data, allowed values, correct spelling of ADR terms and drugs, and unique ID-numbers (i.e. no duplicates).

WHO PROGRAM FOR INTERNATIONAL DRUG MONITORING

THE OPTIMAL NATIONAL PHARMACOVIGILANCE CENTRE CRITERIA

Page 17: AND TO MAKE A DECISION ON WHICH EXPERIMENT TO DO, YOU WANT TO ORGANIZE YOUR CONTENT, NORMALIZE AND COMPARE, TO UNDER- STAND WHICH COMPOUND INTERACTS WITH.

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WHAT ARE GOVERNMENTS DOING?GROWING REGULATORY PRESSURE AND FOCUS ON LITERATURE MONITORING IN

EU & US