SciFinder ® : Part of the process™ 2006 Edition. SciFinder ® : Part of the process™ 2006...

SciFinder®: Part of the process™2006 Edition

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SciFinder® 2006 provides new, powerful capabilities for scientists

• New structure searching capabilities

• New reaction display capabilities

• New navigation and usability improvements


SciFinder 2006 provides outstanding new capabilities for scientists





Several new structure search capabilities are available

• Similarity Searching

• Powerful new query tools

• New and improved structure search options


• Similarity search ranks all compounds in the CAS RegistrySM

database via the Tanimoto algorithm

• Compounds with highest scores included in results

• Similarity search is complementary to substructure search

Similarity searching allows scientists to find new types of answers to their structure questions


The Tanimoto algorithm utilizes various chemical descriptors

• Atoms and their direct attachments • Atom sequences• Bond sequences• Degree of connectivity • Type of ring fusion• Element counts• Atom counts• Ring counts


An example of a Tanimoto score calculation

• QS = Number of query descriptors = 143• FS = Number of file substance descriptors = 169• C = Number of descriptors common to both = 139

Score = 100 * C = 100 * 139 = 80 (QS + FS – C) (143 + 169 – 139)


The fewer the differences between query and answer, the higher the score

Query


Similarity searching is accessed via Get Substances


An analysis is performed based on similarity scores


Selected answers are presented in similarity score order


Substances with lower scores show increasing variance with the query


New structure query tools are available in SciFinder 2006

• Draw a variable attachment point

• Draw a repeating group


These new tools are available in the structure editor tool palette

New Variable Attachment Position tool

New Repeating group tool


New search options allow scientists to control the relevancy of their answer set

Eliminate substances with no literature references

Describe literature roles of resulting substances

Only retrieve commercially available substances

Control the type of substance retrieved by its chemical classification




• New reaction capabilities



Reaction searching is being enriched with new content and new features

• Enhanced access to RXN linking

• Query highlighting

• Reaction conditions

• Elucidation of interim RXN steps

• Improved search options, including limit by number of steps


New Reaction search options allow scientists to control the relevancy of their answer set


Reaction conditions show time, temperature and other parameters


Intermediate reactions in a multi-step reaction can be conveniently reviewed

Click on any substance to check substance details, commercial availability or other reactions where this compound is the product or starting material


Click any substance in the reaction to get additional information, including retro-synthetic pathways

Reactions ►


Click any substance in the reaction to get additional information, including retro-synthetic pathways


New navigation and usability improvements make SciFinder a better research tool

• Duplicate detection and removal• Direct to document/Direct to Library• Mouse-wheel enabled!• New user assistance• New navigation windows• Quick reference lookup with Locate by

Bibliographic Information


Duplicate detection and removal are useful when searching in both CAplussm and MEDLINE®

Duplicate references are removed with the click of a mouse!


Convenient access to source documents is provided by links from every reference, direct to the document or your library!


New user assistance options will provide in-context help

Launched via user assistance button


New task navigation windows will reduce mouse clicks for scientists

All explore options in one window!

New Locate capability when looking up something specific


The Locate feature allows quick access to specific references

Journal references or patents can be obtained

Input as much or as little of what you know about the reference

Journal names, author names, title words and publication date can be combined


SciFinder has become an essential part of the research process!

• Convenient access to CAS content – enriched over time with vital content to support

discovery research

• An array of powerful search technologies– supporting a variety of scientists across the

research enterprise

• Enabled with an easy-to-use interface – designed to maximize efficiency for scientists

SciFinder ® : Part of the process™ 2006 Edition. SciFinder ® : Part of the process™ 2006...

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