and to make a decision on which experiment to do, you want to organize your content, normalize and...
TRANSCRIPT
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!
REAXYS MEDICINAL CHEMISTRY
Reaxys Medicinal Chemistry excerpts all the relevant Quantitative data
ESSENTIAL INFORMATION: 100+ EXPERIMENTAL FIELDS
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)
4
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
5
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
6
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?
7
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
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
FDA APPROVAL PACKAGES: EXAMPLES OF ORIGINAL
DOCUMENTS
PHARMAPENDIUM MAKE BETTER DECISIONS
13
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
MINIMIZING RISK IN PHARMACOVIGILANCE
16
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
• 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
18
WHAT ARE GOVERNMENTS DOING?GROWING REGULATORY PRESSURE AND FOCUS ON LITERATURE MONITORING IN
EU & US