SciFinder Scholar Training Overview

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SciFinder Scholar Training Overview

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Agenda overview

• Who is CAS?
• How SciFinder Scholar helps you to access
  scientific information
• SciFinder Scholar features
• Training resources
• Live demonstration of SciFinder Scholar

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SciFinder Scholar is an easy to use research tool

• Uses conversational language
• Offers a point and click interface
• Smart searching
• Structure searchable
• Provides links to journal articles and patent
  documents
• Updated daily
• Available for 24 hour access

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SciFinder Scholar is produced by CAS, a division
of the American Chemical Society

• Indexes and summarizes chemistry-related
  information from scientific journals, patents,
  conference proceedings, and other pertinent
  documents
• Produces the world's largest and most
  comprehensive databases of chemical and related
  scientific information

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CAS products/services

• Chemical AbstractsTM
• CAS REGISTRYSM
• STN family of products
• SciFinder
• SciFinder ScholarTM
• Science IP

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CAS organizes diverse content from many sources
to build its databases
CAS REGISTRYSM
CA Family 
CASREACT 
CAS Scientists
CHEMCATS
CHEMLIST 
CIN
MARPAT
ToxcenterSM
The CA Family is comprised of CA, CAplus and
CAOLD
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SciFinder Scholar selects databases for you so
you can start searching right away!

• CAplusSM 
• CAS REGISTRYSM
• CASREACT
• CHEMCATS
• CHEMLIST
• MEDLINE

These databases are working behind the scenes,
providing data for your researchproject
depending on the task that youare performing.
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CAplus

• Bibliographic database from 1907 to present, with
  more than 140,000 records before 1907
• Covers international scientific journals,
  patents, books, conference proceedings,
  dissertations, and more
• Updated daily with 4000 references

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CAS REGISTRY

• Worlds largest authoritative chemical substance
  database
• More than 36 million organic and inorganic
  substances
• More than 59 million protein and nucleic acid
  sequences
• Each substance is assigned a CAS Registry Number
• Updated daily with 12-15K substances

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CASREACT

• Organic reactions database
• Document based database containing more than 15
  million single- and multi-step reactions from
  journals and patents
• Structure searchable
• Updated weekly

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CHEMCATS

• Catalog and chemical library database
• Contains information on commercially available
  chemicals and worldwide suppliers
• More than 900 suppliers
• More than 1025 catalogs
• Updated as new catalogs are received

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CHEMLIST

• Regulated Chemicals Listing
• Identifies substances from more than 100
  inventories and regulatory lists from around the
  world
• Updated weekly

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MEDLINE

• Bibliographic biomedical and clinical science
  information database
• Produced by the National Library of Medicine
• Covers 1950 to present
• Updated several times per week

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CAS database content is robust

• More than 10,000 scientific journals are
  monitored of which over 2000 have cover-to-cover
  coverage
• Patents from 51 active patent issuing authorities
• Important scientific discoveries from the
  mid-1800s to the present

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All this data supports your chemical research

• More than 1 billion experimental and predicted
  properties
• More than 15 million single- and multi-step
  reactions
• Ability to do structure searching
• Easily access millions of abstracts, organic and
  inorganic substances, and reactions

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and also biological research

• Comprehensive databases provide extensive
  scientific information obtained from public
  publications and patents
• Scientific information from top journals
• Cell, Science, Nature, Molecular Cell, etc.
• Published patents in areas such as proteomics,
  biological methods, drug formulations, biofuels,
  cosmetics, etc.
• Relationship between diseases, biological
  processes, and proteins

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SciFinder Scholar offers convenient searching
features

• Explore
• By research topic
• By author
• By company or organization
• By substance or chemical name
• By reaction
• Browse the table of contents of journals
• Locate and link to references and substances of
  interest

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SciFinder Scholar features

• Sort, analyze, or refine search results
• Publication year, company name, document type,
  etc.
• Conduct citation searching and linking
• Options for obtaining full-text patents or
  journal articles utilizing ChemPort
• Print results in different formats
• Obtain current information on commercially
  available chemicals and their worldwide suppliers
• Ability to export to Microsoft Excel

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Other popular features

• Categorize uses indexing to sort and evaluate a
  reference answer set by creating a histogram for
  easy analysis
• Save answer sets
• Combine answer sets of the same typefor
  substances, reactions, or references

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SciFinder Scholar has robust structure and
reaction features

• Ability to draw or modify a chemical structure
  using the Structure Drawing Window
• Find reactions and develop a synthesis plan or
  find retrosyntheses
• Explore by substructure and its stereochemistry
  (requires Substructure Module)
• Explore from substructure displays
• Print substances in a 1-4 column grid format for
  easy review or as a quick reference

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SciFinder Scholar license agreement provides
guidelines for proper use

• Use for any academic research
• Prohibits use for commercial purposes

SciFinder Scholar is for academic use.
SciFinder is for commercial and government use.
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Why use SciFinder Scholar?

• Contains the most comprehensive databases of
  up-to-date publications
• Has easy to use search functions with built in
  smart searching
• Has ability to draw and modify chemical
  structures in order to search for information on
  a specific compound or reaction
• Helps students and faculty to spend more time on
  their research and less time on journal searching

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SciFinder Scholar training resources

• CAS SciFinder e-Seminars
• http//casevents.webex.com
• How to Guides
• SciFinder Strategies
• SciFinder Scholar Getting Started Guide
• http//www.cas.org/support/academic/sf/i
  ndex.html

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• Any questions?

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• Hands on practice demonstration

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SciFinder Scholar entry point

It is very important to read and review the
SciFinder ScholarLicense Agreement to
understand the terms and conditionsfor each
user before clicking the Accept button.
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Search decision starting point

Start Scholarsearching by clickingNew Task.
Scholar offers 3starting points. We will start
with Explore.
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Options to Explore the scientific literature

• Explore is broken into 3 sections
• 1. Explore Literature
• 2. Explore Substances
• 3. Explore Reactions
• We will start with Research Topic.

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Explore by Research Topic

To search1. Type your broad concept using
phrases. 2. Click OK. 3. Select the option(s)
that most closely fit your topic. 4. Get
References
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Research topic references

References that fit your topic searchcriteria
with relevant terms highlighted are shown.
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Examine answers in more detail

Click on Microscope icon to obtain more
information on thisselected reference.
Note that search terms are highlighted, including
abbreviationsand synonyms that arerecognized by
Scholarto enhance retrieval.
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Obtain full text of selected document via
ChemPort

Click the full-text icon.
This document can be obtained by clicking on
theHTML link and retrieved on the internet.
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Explore by Company Name

It is recommended that the broadest company
name variation possiblebe used.
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Company name reference result

Note the hit term highlighting.
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Explore by Author Name

Enter as much of the authors name as you know.
Recommend that you leave this box checked in
order to account for name variations and
typographical differences.
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Author Candidates to select from

Select all possible name variations, then click
Get References.
Misspelling or another author?
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Author name references

Here we see hit term highlighting of the
various author name variations.
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To narrow an answer set, use Analyze, Refine, or
Categorize

To reduce your answer set, click
RemoveDuplicates to remove any duplicate
MEDLINE records.
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Options to Analyze the answer set by

Select the option to analyze by and click OK.
By selecting Sort results alphabetically one
is able to review publication trends over time
in the analysis shown above.
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References can be refined by using the Analyze by
feature

Review all candidates for name variation,check
desired ones then click Get References.
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To Refine an answer set by Document Type

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Refine results by Document Type

Refining this search results in 17 patents. The
newest reference appears first.
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Categorize helps you to analyze your answer set
into categories

Select a category of interest from the left
column, and then select the CA index term from
the right column. Click Get References.
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Use Get Related Information options

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Get Related Information results for EJ Corey

• For example
• 2257 cited references
• 9368 citing references
• 6766 substances
• 15,708 reactions
• See next slide for eScience

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eScience Get Related search

eScience option brings the original search into
the selected search engine.
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Utilize Combine feature to combine multiple
answer sets

Search Question Locate publications by E J
Corey that are not affiliated with Harvard.
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Combining answer set strategy

• Search Strategy
• Conduct search for all publications byE J Corey
  using Explore by Author
• Remove Duplicates
• Save the Answer Set
• Analyze/Refine by Company/Organization Harvard
• Click on Combine
• Click Estimate
• Choose Remove current set from saved set feature
  to locate all publications not affiliated with
  Harvard

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Combine answer sets process

Save your firstanswer set for future retrieval.
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Combine answer sets process

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Combine Answer Sets process

• Combine two answer sets of the same kind
  reference, substance, or reaction

This selected combined answer set reflects the
author references not affiliated with Harvard.
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Combine answer set analysis of authors
organizational affiliation

These may representorganizations Corey has
consulted with in addition to when he worked at
the University of Illinois.
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Explore Substances either by Chemical Structure
or Molecular Formula

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Structure drawing window

To help learn more about structure drawingclick
on HELP.
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Use Exact Search to find substances

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Substances that match the Exact search for the
structure

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Explore similar substances
Once you have completed drawing yourstructure,
click the Get Substances.

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Similar substance analysis
The histogram on left displaysresults clustered
into similarityscores select desired
score(s)and click Get Substances.

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Obtain substance references

Click the References icon for anindividual
substance to display all references for that
substancein the Main Viewer. Then click on
Microscope icon for moreinformation on specific
reference.
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Bibliographic Information for a substance
reference

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Explore by Molecular Formula

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Molecular formula results

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Explore Reactions search option

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Look for aspirin reactions
Once you have completed drawing yourstructure,
click the Get Reactions Button.
Reaction drawing tools.
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Explore Reactions Roles

Look for reactions that detail a synthesis of
aspirin as a product.
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Review reaction structure results and perform
additional tasks

Ability to right click on anystructure component
andperform additional tasks.
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Locate features

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Locate Literature using Bibliographic Information
option
Locate a 1975 journal reference by EJ Coreyin
Tetrahedron.

Enter as much information that is known.
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1975 Tetrahedron references by EJ Corey note
highlighting

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Locate Substance information

Input the substance name, patent number or CAS
Registry Number to locatea desired substance.
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Substance REGISTRY record

Click on the Microscopeicon to get the
REGISTRYrecord for this substance.
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Locate substance references associated with its
preparation

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3D view requires additional software available
from Accelrys

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Locate chemical suppliers for a specific substance

By clicking on the Commercial Sources icon, you
will receiveavailable chemical supplier data
that can beexported to Excel.
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Supplier data exported to Excel

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Locate a substances reaction by selecting a
specific Reaction Role

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Browse journal table of contents

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Browse for Cell table of contents

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When finished searching.

• Remember to EXIT from SCIFINDER SCHOLAR due to
  concurrent user limitations

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• Any questions.

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Practice questions

• What is the structure of Aleve? What is its CAS
  Registry Number?
• When and where did Dr. Theodore Duello receive
  his PhD? What was the title of his dissertation?
• In the past five years, what company has done
  most of the research in the area of peptidase
  inhibitors?
• What are the titles of the patents on Bergman
  cyclization?

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Practice question answers

For the following questions Note searches were
done on 9-25-07, due to the daily updating of
SciFinder Scholar research results may vary when
done in the future.
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What is the structure of Aleve? What is its CAS
Registry Number?

• Use Locate by Substance Identifier Aleve

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When and where did Dr. Theodore Duello receive
his PhD? What was the title of his dissertation?

• Explore by Author Name Select Theodore J Duello
• Refine by Document Type Dissertation

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In the past five years, what company has done
most of the research in the area of peptidase
inhibitors?

• Explore by Research Topic peptidase inhibitors
• Select 4686 references found containing the
  concept
• Remove Duplicates (removed 1355)
• Refine by Publication Year 2002- (1427
  references)
• Analyze results by Company/Organization Merck
  has done the most research (more than 110
  references)

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What are the titles of patents on Bergman
cyclization?

• Explore by Research Topic Bergman cyclization
• Select 446 references containing the concept
• Refine by Document Type patent

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Supplementary slides

• Overview of SciFinder smarts
• Benefits of a substructure search
• Atom mapping tool example
• Reaction bond marking tool example

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Overview of SciFinder smarts

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Benefits of a substructure search

• Retrieves answers included in exact and related
  structure searches, plus answers with additional
  substitution
• Allows substitution at any position where
  substitution is allowed all nodes are assumed
  to be open and ring systems are assumed to be
  unlocked
• Requires the SciFinder Substructure Module (SSM)

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Use atom mapping tool for more precise reaction
searching

This reaction retrieves over 1300 reactions. In
many answers, it is not the amine changing to
the nitro the transformation does not occur
in the desired place.
It is better to map the nitrogen so SciFinder
knowsthat you desire the same amine to be
oxidized to a nitro group. Get88 reactions.
Atom reactionmapping tool.
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Reaction bond marking
Nearly 900 reactionsretrieved, but it is not
the chloro being replaced by the oxygen as
desired.

It is best to mark the bonds being changed.
After designating bonds to be transformed, you
get 565 answers all havechloro being
replacedby an oxygen.
Reaction site marking tool.