Your Presenters: Sebastian Radestock - ElsevierPhillip McHale – PerkinElmer

Your Host: Chris Flemming

Welcome to our Reaxys webinar!

Reaxys and Electronic Lab notebooks – Integrated workflow

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The world of chemistry at your fingertips

Reaxys is the most powerful and versatile chemistry discovery engine

• 400 journals, dating back to 1771 • 500 million experimental facts• Essential chemistry patents

• Reaxys ranking algorithm• Cutting-edge filters• Taxonomy-driven search

• Intuitive user interface• Integration into Electronic Lab Notebooks• Effective chemistry research and learning

Actionable chemistry

Relevant answers

Essential information

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Reaxys for pharma industry

Early-stage R&D

Pre-clinical Clinical Approval Productio

nPost

market

Medicinal chemist“I need to connect structure and bioactivity properties”

Cheminformatician“I need to understand the chemistry white space”

Synthetic chemist“I need to define the easiest and most productive way to reach my target compound”

Patent chemist“I need to confirm novelty”

Process chemist“I need to scale-up to production quantities”

Information professional“I need chemists and life scientists in my organization to have access to the best possible chemistry information”

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Reaxys for chemical industry

Evaluate market

Product selection

Technical review

Product develop-

ment

Scale-up and

production

Product launch

Research chemist“I need to understand the behavior of existing chemicals for my R&D efforts”

Cheminformatician“I need to understand the chemistry white space”

Synthetic chemist“I need to define the easiest and most productive way to reach my target compound”

Patent chemist“I need to confirm novelty”

Process chemist“I need to scale-up to production quantities”

Information professional“I need chemists and life scientists in my organization to have access to the best possible chemistry information”

Analytical chemist“I need to to have accurate data for effective analysis”

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Reaxys for academia

Concepts search Lab work

Write up publicatio

n

Librarian“I need a simple system to introduce chemistry information search principles”

Student“I need something to make sense of chemistry”

Department Head“I need accurate, relevant data for credible proposals”

Faculty“I need an easily digestible introduction to chemistry”

Research chemist“I need to define an innovative way to reach my target compound”

Librarian“I need researchers in my organization to have access to the best possible chemistry information”

Principle Investigator“I need reliable references and easy access to experimental data”

Teaching, learning Research grant proposal writing

PhD candidate“I need to understand the chemistry white space”

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Essential information: For a range of questions

Broad and in-depth comparisons of compounds

oWhich compounds have this physicochemical property?oWhich compounds have the same biological effects?oWhich compounds are similar to this one?

The latest detailed information about compounds

oDoes a compound with this structure exist?oWhat are its physical characteristics?o Is it toxic or carcinogenic?o Are any other biological effects known?

The availability of known compounds

oHow can I synthesize this compound? Where can I buy it?oCan I make something like it?oCan I make it better?

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Essential information: 400+ experimental fields

Physicochemicalproperties

Pharmacology

Chemical structures

Chemical syntheses

Reaxys excerption

Reaxys excerpts all relevant data, even from footnotes and text

Deep indexing makes Reaxys unique

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Actionable chemistry: User interface

Everything can be seen in context at a glance

Powerful filters to navigate through complex dataset

Automated synthesis for more effective route planning

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Actionable chemistry: Reaxys in your workflow

In-house data: Seamlessintegration for maximized search efficiency

PubChem: Includesbiology and pharmacology information

Electronic Lab Notebooks:Improve collaboration,

minimize errors, save time

Commercial availability: Data and purchasing possibilities

Reaxys APIs: Combine the

quality data youget from Reaxys

with in-house creativity to build

new solutions tailor-made for your

specific research interests

Structure Flat File:Incorporate

information into data mining and internal

search systems

slide 10© 2009 PerkinElmer© 2009 PerkinElmer© 2009 PerkinElmer© 2012 PerkinElmer

This presentation shows current intentions regarding product features, behavior, schedules and support; these intentions may change without notice as we respond to customer requirements.

Integrating Reaxys® with E-Notebook

slide 11These intentions may change without notice as we respond to customer requirements.

A Customer-Driven Initiative• Chemists plan, execute and record their syntheses and experiments in

electronic laboratory notebooks (ELNs)• E-Notebook from PerkinElmer Informatics is a widely deployed ELN

• Chemists also plan and validate their ideas for experiments and syntheses by checking published information in the literature and patents• Reaxys is a workflow solution for research chemists that provides

extensive information on chemical compounds, related physical and pharmacological properties, and synthesis information.

• Customers asked Elsevier and PerkinElmer Informatics to work together to integrate E-Notebook and Reaxys to provide a more efficient and productive search experience• This presentation illustrates the results of this integration for enhanced

productivity.

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• Draw or select a compound or reaction of interest in E-Notebook • Use standard E-Notebook tools

• Search for this compound/reaction + optional other criteria in Reaxys• Supports Reaxys structure search criteria and methods• Search other parameters (e.g. yield, date, etc.)• Seamless transfer of search parameters from E-Notebook into Reaxys

• Inspect results in Reaxys• Use Reaxys navigation, filter and sorting tools as needed

• Select information of interest and send back to E-Notebook• Seamless transfer from Reaxys back into E-Notebook• Specify which reaction details to import and into which section• Selected information populates appropriate sections in E-Notebook• Can include reaction, preparative method and literature reference

Seamless and Simple

Workflow Overview

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•Retain familiar features of both applications in situ• No need to blur or replicate functionality • E-Notebook for experiment planning and data capture • Reaxys for search result navigation and data selection

•Make interaction as seamless as possible• Simple add-in to E-Notebook• Push button to send search to Reaxys• Push button to return data to E-Notebook sections• Only one log in on first use

Design Imperatives

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• Draw or select a molecule or reaction of interest in E-Notebook

Typical Workflow I

Click Reaxys Search button: Reaxys Query Form appears

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• Specify Reaxys search parameters

Typical Workflow II

Add optional property search criteria (e.g. Yield > 80%): click Search

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• Inspect search results, using Reaxys navigation and filtering tools

Typical Workflow III

Select results to send back to E-Notebook

Click ELN Output

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• Select export criteria

Typical Workflow IV

Click Transfer to ELN

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Typical Workflow V

Select reaction details to transfer to ELNSpecify ELN section for imported dataClick Import

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• Exported results are inserted into E-Notebook

Typical Workflow V

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• Reaxys Hitlist lists all selected reactions and has links back to records in Reaxys

Reaxys Hitlist and Link to Reaxys

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• Integration capability is available in E-Notebook via a simple add-in• Add-in is available for download from SciStore.com• Simple install to existing E-Notebook systems:

customers can do this themselves•Works with E-Notebook v12• Provided at no extra charge to E-Notebook customers

with a current license• Also requires a current license to Reaxys

Delivery

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Questions?