SciFinder Scholar @ GSU

Georgia State University Robert Tomaszewski 06/04/09 SciFinder is a trademark of the American Chemical Society

What are Chemical Abstracts?

Chemical Abstracts is an index of the scientific literature in chemistry and related fields, supplemented by abstracts for almost all the articles. Available in print, microform, and CD-ROM, and SciFinder Scholar database.

06/04/09 SciFinder is a trademark of the American Chemical Society

What is SciFinder Scholar?

SciFinder Scholar is a research tool that integrates 5 Chemical Abstracts Service (CAS) databases for seamless and comprehensive searching.

Also included is the Medline database.

SciFinder searches the CAS databases and Medline simultaneously.

General Overview

SciFinder Scholar ( SFS ) (or Scholar for short):

Product of Chemical Abstracts Service (CAS).

Enables students, staff, and faculty to search a wide array of chemical information sources within a single user-friendly interface.

The system uses proprietary software, available for the Windows and Macintosh platforms, that must be installed on individual workstations.

The software connects to CAS servers in Columbus, Ohio, through the Internet. Scholar became available in the Spring of 1998. Before that time, Chemical Abstracts could be searched online via the command-driven STN network or the more user-friendly web version, STN Easy.

Database Overview

1. CAplus is an enhanced bibliographic file containing the entire Chemical Abstracts database from 1907 to present containing over 23 million records. Updated daily (~1400 records weekly). Includes all of printed CA as well as records for additional materials, such as American Chemical Society national meeting abstracts and citations from the 1,580 journals that CAS now abstracts cover-to-cover, but which do not meet the criteria for inclusion in the print index or the STN CA file. Some pre-1907 records added : Journal of the Chemical Society, Transactions 1878-1906 and US chemical patents 1900-1906.

2. CAS Registry a database of chemical structures and names indexed by CAS since 1965. >57 million substances. >46 million biosequences. LATEST SUBSTANCE COUNT

Can be searched by name, molecular formula, structure or substructure.

3. CASREACT contains >6 million records of single and multistep chemical reactions from the Organic and Organometallic sections of CA, drawn from journals (1974-present) and patents (1991-present).Updated weekly.

4. CHEMCATS is a database of commercial suppliers. >4 million products from >700 supplier catalogues.

5. CHEMLIST contains regulatory information records from 1979 forward. >330,000 substances. Updated weekly.

6. MEDLINE added to SciFinder Scholar with the 2000 release, allows searching by Registry Number as well as keywords and subject headings.

SciFinder Scholar Content: (1907-present)

Database covering substances identified since 1957 with some classes going back to early 1900’s.

> 20M organic & inorganic compounds.

> 23M biosequences.

> 13M ACD (calculated property data)-organic compounds (e.g., MW, logP, # H acceptors/donors, freely rotatable bonds, molar solubility, etc.,)

> 1M Experimental physical properties

(e.g., mp, bp, RI, solubility, etc.,).

> 6M single/multi-step reaction (since 1975).

Structure, Stereochemical, Polymer Searching.

Able to see actual spectra of some compounds.

Subjects Covered

Chemistry

Biology and Life Sciences

Physics

Medical Sciences

Food Sciences

Geological Sciences

Material Sciences

Polymer Science

Agricultural Science

Engineering Sciences

06/04/09 SciFinder is a trademark of the American Chemical Society TOPIC Search SUBSTANCE Search SciFinder Scholar: Searching CHEMLIST CAplus CAS Registry CASREACT CHEMCATS MEDLINE

SciFinder Scholar: Infrastructure? 06/04/09 SciFinder is a trademark of the American Chemical Society CHEM LIST CAS REACT MEDLINE CAS Registry CHEM CATS CAplus

Georgia State University

3 Cocurrent users.

Access from all computers in library

(LN1, LN2, LS3).

Access from computers in chemistry department.

Although 24 hour access is available, the system is down from Saturday evening at 6 pm till Sunday morning at 2 am.

http://www.library.gsu.edu/scifinder 06/04/09 SciFinder is a trademark of the American Chemical Society

SciFinder Scholar: User Agreement

This is the SciFinder Scholar user agreement, which will appear each time you access the database.

I am a current faculty or administrative staff member, or officially registered student of the University.

I will use SciFinder Scholar only for my own academic research done in the course of pursuing my degree, or in instructing my students, or, in the course of my own research funded by the government or a non-profit foundation and intended for publication in the publicly available literature.

I will NOT use SciFinder Scholar for commercial research ; for example, research that is done under a funding or consultant contract where the results are delivered to a for-profit organization, or for research that involves patentability searching. If I require SciFinder for commercial purposes, I will have the search done using a commercial account by contacting the librarian responsible for chemistry searches on campus, by contacting CAS and having them perform a search for me, or by acquiring and using the commercial SciFinder product.

I will use my search results in the ordinary course of academic research and acknowledge that I may store search results in electronic form for the duration of research projects, provided that at any one time, I store no more than 5,000 records . I may share search results in a limited, reasonable way with other University students or faculty working on the same project, but I will not aggregate my electronic search results with those of anyone else. I will delete stored records when I no longer need them for the relevant research project, or after the completion of my degree program, whichever occurs first. If I need to use search results beyond what is described here, I will contact my University Key Contact to discuss and to obtain CAS permission. I ACKNOWLEDGE THAT I AM NOT PERMITTED TO DISTRIBUTE ANY CAS DATA OR SCIFINDER SCHOLAR, FOR COMMERCIAL GAIN OR OTHERWISE, OUTSIDE THE UNIVERSITY OR TO THIRD PARTIES .

I acknowledge that the University has entered into a license agreement with CAS to provide me with access to SciFinder Scholar, and that violation of the license by any user could result in a termination of the license for all users .

I will contact the University's Key Contact with any questions related to the use of SciFinder Scholar.

Search Options

Explore: Search for scientific information. Search for articles using author, topic, or organization. Find chemical structures, molecular formulas, and reactions.

Locate: Find a specific reference or substance. Find references by journal name, article title, or document identifier (patent number, CA abstract number); find substances by chemical name or CAS registry number.

Browse: Scan tables of contents of my favorite journals.Use this to view tables of contents of over 1800 journals.

Explore Searching

Research Topic - to find literature on a topic of interest. Use a natural language sentence to describe your search topic. You can select only those references which contain your topic exactly as entered . SciFinder's inbuilt 'intelligence,' automatically includes alternative spellings, synonyms, abbreviations and truncated word forms.

Author Name - to find literature written by a specific author .

Company / Organization name - to find literature written by authors at a specific location.

Chemical name , exact chemical structure , chemical substructure , chemical reactions , molecular formulae or CAS Registry Numbers - to find literature on specific chemical substances, substructures or reactions.

06/04/09 SciFinder is a trademark of the American Chemical Society Example of Search Results

Select the microscope icon to view a detailed record including bibliographic information, abstract , indexing terms, structure, and more.

Select the paper icon to determine print or electronic document availability (i.e., full text) through ChemPort Connection (interface). Access to full text depends on University subscriptions. The Find It Link will automatically search the University Library’s subscriptions, so it is recommended as a first step.

06/04/09 SciFinder is a trademark of the American Chemical Society Microscope & Paper Icons

ChemPort

ChemPort uses your IP Address to verify your journal subscriber status with some publishers. Click here to see the IP Address that ChemPort recognizes for your computer.

The ChemPort Connection is available from Sunday 01:00 to Saturday 22:00 Eastern Time. On the first Saturday of each month, it is only available until 17:00.

ChemPort Connection sessions time out after 20 minutes of inactivity. Once a time-out occurs, the links are no longer active.

Analyzing/Refining Data 06/04/09 SciFinder is a trademark of the American Chemical Society

This button allows you to narrow the answer set.

Analyze references to view histograms of publication year, author, company, document type, etc., Refine reference sets by research topic, company name, author, publication year, document type, and language.

Analyze substances to view histograms of precision, ring structures, etc., Refine substances by structure, availability or property data.

Analyze reactions to view histograms of journal, number of steps, publication year, etc., Refine reactions by structure, yield, number of steps, classifications, etc.,

Hits can be refined and analyzed: Important for LARGE sets! 06/04/09 SciFinder is a trademark of the American Chemical Society R efine References OR Substances

Categorize Function 06/04/09 SciFinder is a trademark of the American Chemical Society Allows sorting and evaluating information from your answer sets via a histogram. First select category, which then refines it to items of interest.

Combining Sets 06/04/09 SciFinder is a trademark of the American Chemical Society Combine your current answer set from a saved answer set of the same type: reference, substance, or reaction. Works for only 2 answer sets! You can use it multiple times.

06/04/09 SciFinder is a trademark of the American Chemical Society Citing references go from 1996 onwards: Get references that cite the selected document(s) Remember to select the document (s) youwant citations from! Max. selection is 500.

Can I search CA numbers?

Abstract records from 1967 to present can be searched by abstract number (e.g., 101:59753 ) in the Locate by Document Identifier tool.

1907-1966 abstract numbers are not searchable or displayable in the CAPLUS file in SciFinder. These are the numbers that look like: 53:2185a , indicating that the original abstract appeared in volume 53 of printed Chemical Abstracts , in column number 2185, position "a" (top of the column).

The "CAN" numbers displayed in the CAPLUS file for records prior to 1967 are computer-generated accession numbers and do not correspond to the printed CA in any way. If you have only an old CA number, you must use the print CA to find the abstract.

If you need to find a genuine CA number for an older reference, you can look it up in the print, or ask the chemistry librarian for assistance. (The STN version of CAPLUS contains these numbers).

Max number of hits displayed is 10000 06/04/09 SciFinder is a trademark of the American Chemical Society

06/04/09 SciFinder is a trademark of the American Chemical Society SFS: STRUCTURE EDITOR Template Tools Current atom Atom Palatte Bond Palatte Molar Mass of what is drawn on editor Molecular Formula on editor

06/04/09 SciFinder is a trademark of the American Chemical Society Cyclopentane Cyclohexane 3-15 ring Cyclopentene Benzene

Template tool:

Provides access to complex ring systems

Reaction tools Atom tools Position tools Lock-Substitution Tools

Variable Attachment Tool:

1 or more substituents attached to the

same atom.

Max. number of 20 substituents variably

attached to a ring system.

Used with substructure/ reaction searching, and when refining/ previewing.

Repeat-group Tool:

allows an atom or group of atoms to be repeated n times.

repeated atom(s) can be in a ring or chain.

TIP:

n = a single value (for an exact and similarity search)

n = range for substructure and reaction search.

Charge Tool:

Select to place a positive or negative charge onto an atom. Click on the selected atom to increase/decrease charge value.

TIP: Charges >10 are indicated with the > sign.

OTHER TOOLS

Lock-Out Tool:

Blocks an

atom from any substitution.

Any number atoms can be locked in a structure.

Lock-Out RING Tool:

Blocks a RING system from any substitution.

Any number atoms can be locked in a structure. Often used when there are rings already in the original structure.

LOCK-SUBSITUATION TOOLS

Eraser Tool:

Erases atoms, bonds upon selection.

Lasso Tool:

Drag around a selected piece of molecule to select.

Rotation Tool:

Select atom and hold while rotating mouse to move fragment clockwise or anti-clockwise.

Selection Tool:

Select atoms to move.

TIP: To select entire structure or several, press and hold the Ctl or shift key, while clicking individual atoms or bonds.

POSITION TOOLS

Pencil Tool:

Draws and changes

atoms, bonds, shortcuts, groups, variables.

Chain Tool:

Draws chains up to 253 atoms.

TIP: To reverse change orientation, press and hold the shift key while drawing.

Shortcut Tool:

A pop-up of commonly used functional groups appears from which you can select to be placed on an atom.

R-group Tool:

A definitions pop-up box appears for selecting atoms, X-groups and/or Short-groups onto an atom.

A max. of 20 each can be used for each R-group.

X-group Tool:

A pop-up box appears for selecting selected variables onto an atom.

Tip: X-group are not allowed for an exact structure search.

Atom Tool:

Periodic Table pop-up for atom selection.

ATOM TOOLS

Search filters: Before a search 06/04/09 SciFinder is a trademark of the American Chemical Society

TIP: CARE!

When Selecting

“ Only return substances

That are single components”

will not retrieve salts and complexes as these are listed under multi- component substances in the registry.

Hence many pharmaceuticals will be omitted from the search.

Results from a structure search 06/04/09 SciFinder is a trademark of the American Chemical Society

Select to get general info and

to obtain:

Experiment Properties and Calculated Properties

TIP: NOT all substances have this info!

SciFinder Scholar 2006

now includes IR and NMR

spectra from Wiley

Subscriptions and Japan's

National Institute of Advanced

Industrial Science and

Technology: 142,000 NMR 28,000 IR 19,000 MS

To View a Spectrum: 1. Do a Substance Search and click on the microscope icon, 2. Click on the link "Experimental Properties“ (providing its there!) to get into the spectra data. Other physical data such as melting point, boiling point, etc., can also be found with relevant references.

06/04/09 SciFinder is a trademark of the American Chemical Society Spectra

Message from a search occur when there are TOO many hits! 06/04/09 SciFinder is a trademark of the American Chemical Society

AutoFix:

automatically locks out any rings and chains.

TIP: GO back and lock the atom(s) and fragments you want!

Additional Options:

Once selected the filter search pop-up box appears allowing you to limit your search further by variables such as formula weight, substance types, etc., e.g., Only return substances that are single components.

Saving Information 06/04/09 SciFinder is a trademark of the American Chemical Society General: 1. Select items, then select, File>save as OR Click the ‘Save As’ button on your Toolbar. 2. Select a printing option: Compact OR Standard OR Summary OR Full . TIP: Can only save less than 100 records at a time.

Printing

General: 1. From the Main menu bar, select File > Print OR Click the Print button on your Toolbar. 2. Select a printing option: Compact OR Standard OR Summary OR Full .

Reactions: Reactions print in the Full format only, and in the presentation scheme (one reaction per reference or all reactions) currently in effect for the viewer you are printing from.

Property Data: Property data prints in Full format only if Include Property Data is selected. This option is selectable only in Full format.

TIP: By default, your Task History prints on a separate page before references, substances, or reactions. Deselect Print Task History if not wanted.

E-mailing

General: 1. Select the records. 2. Click on “Full text” icon from the menu. You will be asked to plug in your email address, telephone number and name as well as the email to whom you are sending the citation.

TIP: First time you will have to go back to and redo 2 in order to plug in the recipients email.

THUS:

The "Email Reference" feature is available if you are logged in to ChemPort. It is a free service that allows you to email the article title, author(s), and journal title to a colleague.