Chemical Information Searching SciFinder. Prepared for Chemical Engineering CHEN 7753 ‘Introduction to Research’ September 18, 2012 Michael Noe Science & Engineering Librarian Marriott Library, University of Utah [email protected] Recommended databases for ChemE from the
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Chemical Engineering Research Guide
This is the best database for most chemical engineering investigations, providing insight to the chemistry, reaction dynamics and chemical transformations of substances. Chemical Engineering applications are examined. Also useful for finding Chemical Processes and Properties.
CompendexEngineering applications of chemical processes are best covered in this database. In-depth coverage of nearly all engineering research.
InspecExcellent coverage of physics as well as electrical engineering and its applications. Good coverage of computer control for engineering applications.
Medline Covers biomedical applications of chemical engineering.
Scopus Excellent coverage of a broad range of science and engineering disciplines. Published by Elsevier.
MetadexCovers materials where metals are the primary constituent or act as an important component.
MathSci NetThe best index to the scholarly Mathematics literature.
Web of ScienceCited Reference searching is this database\'s main feature. Covers the most highly cited journals in each science & engineering discipline.
Business Source PremierMany current chemical engineering topics have related articles in business journals and business news. Use this database to gain a broader perspective.
Dissertations & Theses: Full TextRead in-depth literature reviews and discover research methods from Dissertations and Theses related to your subject.
Google ScholarGoogle Scholar has a broader view of \'scholarly\' than does the academic community, so use some caution. Otherwise it is a major index that will provide access to full text articles owned by the library.
Search the US Patent and Trademark Office; it is the best source for finding non-public "cutting edge" science and technology. Most of this content is never reported in journals.
We will focus on this database today
From this address scroll down to the SciFinder entry
You must register
It’s FREE !!!
Must be done from
a campus IP address.
Coverage: 1907 - Present
Access: University of Utah
Purchased By: Marriott Library
Maximum Users: Unlimited
NOTE: You must register for a user account to use this database. Click here to register - note that for registration you must use your University of Utah email and be at a University computer. This database is licensed for use only by U of U faculty, students and staff conducting scholarly research. It is not to be used for commercial research. It is not available to library visitors or walk-in users, or those with guest NIDs. For questions about commercial use or any other SciFinder issues, please email DaureenNesdill by clicking here.
SciFinder provides access to the substance information and chemical literature in CAS (Chemical Abstracts Service) databases. Currently the database includes over 16 million journal articles, patents and other documents and more than 24 million substance records in the CAS Chemical Registry database. See Common Chemistry for a free resource from CAS.
Click here to open the database
Where to Register
for access to SciFinder
When is the system available?
SciFinder is available 24 hours a day, EXCEPT Saturday evenings and Sunday mornings, when database maintenance is done.
to Sign In
FREE Registration is required for use. Go to ‘SciFinder’ on the Databases Page.
First time registration must be done from a campus IP address.
CHEMICAL ABSTRACTS (CAPLUS, bibliographic data, 1907-present)
REGISTRY (chemical structures, bio-sequences, and names, with property and spectral data)
CASREACT (single and multistep organic reactions, 1840-present),
CHEMLIST (regulatory information on chemicals)
CHEMCATS (commercial availability of chemicals from major suppliers)
MARPAT (generic Markush chemical structures from patents)
MEDLINE (biomedical literature, 1946-present)
You can search more than 33 million references by topic, author, CAS Registry Numbers, patent number, and CAS abstract number.
More than 56 million chemical substances may be searched by chemical name, structure, Registry Numbers, and molecular formula.
You can also do substructure searches for substances and more than 42 million organic reactions.
This is SciFinder’s default search screen,
from which you find scholarly articles, reports, properties, patents, etc.
SciFinder uses a ‘natural language’ search interface
Use the options above to select document types and publication year(s).
A first name is optional. If specified, the first name must contain only letters.
If you do enter a first name, only an initial is necessary.
A middle name is optional. If specified, the middle name must contain only letters.
Try your search in various ways:
Enter the middle name as the first name
Enter the initials
Enter the first initial and middle name
When searching for a hyphenated last name,
try searching the first half of the name as a middle name.
Umlaut? Enter the name as spelled without the umlaut, or with an "e" following the vowel.
Names Include: Company, Government Agency, or not-for-profit organization.
When entering the company name as part of a search:
Enter one name per query. Only a partial name (for example, Glaxo) is required.
Do not specify more than 200 characters.
Avoid Boolean operators, such as or, and, not.
Avoid non-alphanumeric characters, such as !"%?*( )& _+-=[ ]:;@\'~#,./.
A Document Identifier is almost ANY alpha-numeric designator from any source
that is used to identify or locate that document.
The journal name can be a full name, abbreviation, or acronym.
Abbreviations or acronyms must not contain spaces or punctuation.
Title-Word searching can be an effective way to narrow a large set of results.
Patent number — for example: CA 2107100 or CA2107100
Patent application number — for example: JP 1992-502228
Priority application number — for example:IT 1998-BO661
Within the number, the country code (for example, US) must precede
the date (for example: US 2005-301370).
The Year for a patent, the patent application, or the priority application number
can be in either two- or four-digit format (for example, 05 or 2005).
Worldwide chemical patents and applications are thoroughly indexed and cross-referenced in SciFinder.
CAS policy is to index the first published patent document (usually a non-U.S. application) in a family, and subsequent granted patents and other applications are listed in the Patent Family table in the full record:
The SciFinder interface is not intended for comprehensive patentability (prior art) searching, which should be done by experienced patent searchers using specialized databases. The academic usage terms prohibit using SciFinder for any profit-making purpose, regardless of one\'s academic status or affiliation.
The default sort for references is by the database accession number, which is essentially the same as reverse-date:
newest documents are on top, the oldest at the bottom.
Records from Medline are always below records from CAPLUS, also sorted in reverse chronological order.
You can re-sort a results set by author, document title, citing references, or reverse publication year.
SciFinder does not sort reference answers by "relevance" algorithms.
To increase relevance you can select the "closely associated with each other" set from the results histogram before displaying your answers,
or you can use the Refine, Analyze, and Categorize functions to narrow and focus a results set.
(as of December 2011 release)
Substance records are default-sorted by relevance, which should bring the closest matches to the top.
It is also useful to re-sort by Number of References, which will bring the best-known and most-cited substances to the top.
You can re-sort by reverse Registry Number, which means the most recently reported substances - which usually have few or no references - are on top.
Can I save answer sets from session to session?
Yes. You can save a results set (references, substances, or reactions) on the CAS server, or export them to a local disk, then combine a future results set with that saved set if you wish. By employing various options of Combine, Intersect, or Remove, you can manipulate and customize the information contained in these combined answer sets.
Analyze your search results - see histograms of the ‘analyze-topic’ you choose.
Analyze is a tool that allows you to evaluate and review an answer set without having to browse all the entries one by one.
You can create histograms of your set based on author name, organization/company (only the first author\'s organization is indexed), language,
document type, journal title, date, CAS Registry Number, and so on.
This can help you quickly identify individuals or organizations doing work or getting patents on your topic, chemical substances most frequently
mentioned, key publications, trends over time etc. You can click on a histogram bar and view just those records.
Another way to analyze a reference result set is to use the Categorize feature.
Choose a broad subject category from the list on the left, then select one or more CA index terms from the right side and view just those records.
This technique utilizes the power of CAS\' controlled indexing vocabulary and works very nicely for filtering large answer sets.
You can analyze a substance answer set by real-atom attachments, variable group and R-group, precision, ring skeletons, and stereo-chemical precision. This helps narrow down a large substance answer set to zero in on structures of particular interest.
Finally, if you are searching by drawing for a chemical reaction, you can analyze a reaction result set by catalyst, solvent, number of steps,
product yield, as well as bibliographic data such as author, journal, year, document type, etc.
The Refine and Analyze tools allow you to narrow your substance results by a number of criteria, including additional structure component,
metal- or isotope-content, property data or commercial supplier information, etc.
See the CAS Training pagefor more details at http://www.cas.org/training/scifinder
Refine can be used iteratively
Narrow results with
for properties, articles, reactions, …
CAS Registry Numbers
For example, 58-08-2 is the CAS Registry Number for caffeine.
Each CAS Registry Number (often referred to as a CAS Number):
• Is a unique numeric identifier – can contain up to 10 digits, divided by hyphens into three parts
• Designates only one substance – stereo isomers have different CAS numbers
• Has no chemical significance
• Is a link to a wealth of information about a specific chemical substance !
Since CAS Registry Numbers are not dependent upon any system of chemical nomenclature, they can:
• Provide a reliable common link among the various nomenclature terms used to describe substances
• Serve as an international resource & standard for chemical substance identifiers used by scientists,
industry and regulatory bodies
This is the Explore Substances / Substance Identifier search box
Where we have entered the CAS Registry Number for Caffeine
From here you can find:
Click the icon to see:
Clicking the ‘Reactions’ icon
displays the ‘reaction-role’
Don’t forget to analyze and then refine these results
to narrow your search to reactions tailored to your needs.
(from the screen with the icons)
displays the substance’s detailed information.
The actual record
is much longer
and very detailed
Carefully. Under ‘Explore Substances’, select the "Substance Identifier" option.
Chemical nomenclature in general is very complex, and follows different sets of rules.
CAS uses its own nomenclature rules to assign systematic names to chemical substances, and their rules have changed substantially over the years.
The Registry database indexes the current official CA Index Name for all substances, along with any former CA Index Names and various synonyms and trade names that have been used in the literature.
However, the Registry is not a comprehensive source of chemical names and trade names.
It\'s straightforward to search by well-known common names (ex. acetic acid, cyclohexane, acetaminophen), familiar trade names (ex. Taxol), and common abbreviations (ex. MTBE). It is not currently possible to browse an alphabetical index of names in SciFinder.
Searching systematic names is less reliable because of the many possible variations in a name string.
In general, the longer the systematic name the less likely you\'ll find it by typing it exactly.
SciFinderlooks first for an exact match to the name as you type it. If it finds an exact match, it displays only that compound, and no others.
For example, if you search for "Gallopamil" it will retrieve the one compound that has that exact name, but it will NOT retrieve compounds
where "Gallopamil" is a segment of a longer name, such as "Gallopamil hydrochloride" (or any salts or multicomponent compounds).
If it doesn\'t find an exact match, it next looks for the string you entered as a segment within a name. It will retrieve all such partial matches.
For long names, you\'ll have a better chance of getting a hit if you break it up into discrete segments than if you type it all as a single unbroken string.
SciFinderwill retrieve all the compounds that have names including all the segments, and you can browse these for the one you want.
If you get too many hits, add locants to some segments to narrow the possibilities.
For example, to search for
type some of the identifiable functional group segments, in any order, separated by spaces:
3-buten-1-yl 2,3,4,9-tetrahydro 1H-pyrido 1-carboxylic and you\'ll get a table of matches to browse.
As with all chemical database tools, the chemical name is not the ideal way to search for a compound because of the complexity and inconsistency of chemical nomenclature and the diversity of synonyms and trade names used in the literature. Never rely on a name search when doing a comprehensive search for a compound. The rule of thumb is, when in doubt, draw it!
Click the ‘i’ button for drawing instructions
Notice the limiters
available for your use.
Molecular formulas can be ambiguous (for example, does "CLI" represent "C LI" or "CL I"?).
How do I search by molecular formula?
Substances may be searched by Property values.
You may search by specific values or by property value ranges.
Select either Experimental values or Predicted (calculated) values.
Searchable ‘Predicted’ (calculated) properties
How do I find property values for a compound?
There are two approaches in SciFinder to search for documents that might contain specific kinds of property data.
The most straightforward way is to use the compound\'s Registry Number in a research topic query,
e.g. "vapor pressure of 104-76-7", and view the results where the concepts are "closely associated with one another."
The other way, which is preferable if you don\'t already know the RN, is to use Explore Substances to find the compound
record, click Get (all) References, and then use the Refine/Topic feature to enter the name of the desired property
to narrow the results.
Don\'t select the Properties role when getting references unless you\'re fairly sure the data was reported after 1967.
The substance roles have not been applied retroactively to the pre-1967 segment of the CAPLUS file.)
See the Properties Literature Searching page at uTexas for more details. http://www.lib.utexas.edu/chem/info/thermo-lit.html
Can I search for chemical substances by property value(s)?
Yes, for some properties but not others.
Many substance records in the Registry file contain calculated or experimental property data.
Select "Property" in the Explore Substances tab and then choose a property from the menu and enter a specific value or range of values (closed or open-ended).
You can also refine a substance set by experimental property values. See the CAS help pages for more information.
Experimental property data in the Registry come mostly from the literature, but not all are directly searchable.
Predicted properties are generated by algorithms from ACD Labs, and these are related primarily to pharmaceutical discovery.
Searching by property value(s) is more robust in Reaxys, (Beilstein & Gmelin-- not held in campus libraries) and
you can also do it in CRC\'s Combined Chemical Dictionaryand Properties of Organic Compounds.
IR, NMR (predicted from ACD Labs and experimental from BioRad-Sadtler), and some MS spectra for many compounds are included in a substance\'s Registry record. Searching for documents containing spectral data works basically the same as a property value search (above). See our Spectral Literature Searching for more details.
How do I locate commercial chemical suppliers?
Can I find current regulatory information on substances?
Why do some substances show zero references?
Although most Registry compound records come from CAS\' indexing of the literature, some compounds are registered from other sources and are not necessarily represented by any indexed literature. Third-party chemical libraries, catalogs, and databases from various external agencies, as well as hypothetical ring parents are also included.
Click the ‘i’ button for drawing instructions
is not covered
in this presentation
How do I search for the preparation of a compound?
How do I search for salts?
How do I search for organometallic compounds?
Doing structure searches for organometallic and coordination compounds in SciFinder is a challenge.
If you\'re looking for an exact structure, it\'s sometimes easier to use the molecular formula option instead.
(An exact name search is less likely to be successful.)
If you\'re drawing the structure,
Always select "Show precision analysis" before running the search.
Then select the "conventional structure" subset of the results.
(Note: precision analysis is not available if there is stereochemistry, or for similarity searches.)
There\'s also a limiter for coordination compounds that you can check if you wish.
Another tip: Turn off valency analysis in the drawing applet\'s preference pane so that the system
doesn\'t keep bothering you about non-standard valencies as you draw.
It will still ask you to confirm the non-standard valency before doing the search, and just click OK to proceed as drawn.
For a more extensive overview of searching for inorganic substances, go to http://www.istl.org/11-winter/tips.html
How do I search for polymers?
CAS registers most polymers as multicomponent substances composed of one or more monomers.
You can search by name, monomer structure or formula and limit retrieval to polymers in the Class(es) menu.
Search for general classes of polymers as a research topic.
Molecular formulas of polymers are indexed as monomer formula(s) within parentheses,
followed by an x: (C8 H8)x ; (C8 H8 . C4 H6)x etc.
Structure searching for copolymers in SciFinder involves executing a search for one monomer as an exact structure,
then refining the results by adding another monomer.
It\'s better to start with the least common monomer.
Polymers with undefined structures obviously can\'t be searched by structure, but must be found with name and class terms instead.
STN documentation can be found at http://www.cas.org/training/stn/polymer-searching-tips
How do I search for labelled compounds?
Search for all labelled analogs of a given (sub)structure by drawing and searching the structure,
then using Refine to limit to isotope-containing substances.
It is not possible in SciFinder to search for a specific label at a specific position.
By molecular formula:
Deuteratedor Tritiated analogs can be searched as D or T within the formula;
these isotopes are double-posted with H in the MF field.
Example: C5 H D6 N = C5 H7 N.
Select "Explore Reactions" from the task menu.
Draw a reaction scheme including one or more reactants/reagents, a reaction arrow, and a product (sub)structure.
You can focus your substructure search more narrowly and avoid error messages or too many hits by using the locking tools,
mapping atoms, and defining reaction sites (bonds broken or formed) in the drawing module.
You can also apply pre-limits such as solvent, number of steps, classification, year, etc.
Click "Get Reactions" to run the search in the CASREACT database.
Results are sorted by relevance. For more information see the CAS Trainingguides.
Where does SciFinder\'s reaction information come from?
The CASREACT file primarily contains reaction information derived from journals indexed in the Organic sections (which include organometallics) of Chemical Abstracts since 1985 and patents since 1991. CASREACT is not as broad as Beilstein in its reaction coverage before 1985. For best coverage you should search both sources.
Are the cited references in the CA record searchable?
Yes. Cited references (representing the works appearing in the article\'s bibliography) are included in CA bibliographic records
back to 1996. Most are hyperlinked to the corresponding record in CA -- just click on the citation to go to that record.
To find later documents that cite a specific work or group of works (such as by author), pull up a group of records, select one
or more (or just use the entire results set), and click "Get Citing" in the task bar.
This will pull up a set of documents (post-1996) that cited the selected original(s).
Web of Science (Science Citation Index) allows more extensive analysis of citations, and calculates an h-index,
which SciFinder can\'t do. It\'s also the only source to find pre-1996 citing papers.
How can I remove the Medline records from my results?
Medline records are sorted separately in results sets, and come after the hits from CAPLUS. After you get a list of references, click the Refine tab, then select the Database button and select CAPLUS. Medline records are often duplicates of CAPLUS records in the same set. SciFinder allows you to remove duplicates from your results set. You can also set your Preferences to automatically remove Medline duplicates.
Click the Refine tab from a results screen, then choose Document Type, and select from the menu only those types of documents you wish to see.
Can I use SciFinder from off campus?
Yes. You can connect via the U Libraries’ Proxy Server using the link found on the Database pages. Each time you
connect from off campus you\'ll be asked for your uNID and password. The U does not support the use of VPN
for connecting to third-party resources.
Can I search SciFinder in the library?
Current U students, faculty and staff may use SciFinder on library workstations, provided you have registered
for a SciFinder user account. You must enter your uNID and password to use the workstations.
Due to license restrictions, courtesy borrowers and the general public are not permitted to use SciFinder.
Can I use SciFinder on my smartphone?
Yes. There is no app to install and you don\'t need to be on campus. Point your smartphone\'s browser to
scifinder.cas.org/mobile and log in with your existing SciFinder ID and password. There is a daily limit of
detailed substance or reference displays, and structure drawing/searching is not available. In addition, there
are no direct links to full text.
SciFinder database help is both in-depth and Excellent
Many SciFinder Tutorials
are available in
English, Chinese, French, German, Portuguese, & Spanish
Introduction to Reference Searching (15-minutes)
Search for References by Research Topic (5-minutes)
How to Explore by Research Topic (PDF)
How to Explore by Author Name (PDF)
How to Refine Reference Answers (PDF)
Analyze Reference Answer Sets (5-minutes)
How to Analyze Reference Answer Sets (PDF)
How to Access Fulltext (PDF)
Introduction to Substance Searching (15-minutes)
How to Explore by Substance Identifier (PDF)
Introduction to the SciFinder Drawing Editor (10-minutes)
How to Explore by Chemical Structure (PDF)
How to Select Structure Search Options (PDF)
Search by Exact Structure (5-minute tutorial)
Search by Substructure (5-minute tutorial)
How to Find Commercial Sources (PDF)
Get Commercial Sources (10-minutes)
How to Combine Answer Sets (PDF)
Add a Keep Me Posted (KMP) Alert (5-minutes)
How to Create a Keep Me Posted (KMP) Alert (PDF)
How to Print, Save, and Export (PDF)
Introduction to Reaction Searching (15-minutes)
How to Explore Reactions (PDF)
Draw Reactions (10-minute tutorial)
How to Analyze Reaction Answers (PDF)
How to Refine Reaction Answers (PDF)
Plan a Synthesis Project (15-minutes)