Teaching and Using Chemical Information: Bibliography 1993-1998.

Carol Carr

Chemistry Library, University of Pennsylvania, Philadelphia PA 19104-6323

Introduction

This bibliography updates the compilation: Carr, Carol. "Teaching and using chemical information - an updated bibliography" J. Chem. Educ., 1993, 70 (9), 719-726

The biggest change since the last bibliography is the growing number of resources available on the web. For example, providers of chemical databases now have web pages which contain information on how to use their resources. Instructors also have created web pages to complement their chemical information instruction classes. Web resources are listed in the appropriate subject headings below.

The bibliography follows the format of the previous work and contains the following sections as well as updated information on sources that regularly provide information on chemical information.

Continuing Sources of Assistance in Using/Teaching Chemical Information
(Listed here are sources which have been added or changed since the 1993 bibliography)

ACS/SLA Clearinghouse for Chemical Information Instructional Materials (CCIIM) (accessed Jan 1999)
Contact: Gary Wiggins, Chemistry Library, Indiana University, Bloomington IN 47405 Phone: 812-8 55-9452, E-mail: wiggins@indiana.edu
Over 200 items contributed by librarians, faculty and others. Includes instructions on using various resources, course outlines and exercises. Lists the items and links to the full version of resources which are available on the web.

Education Committee, Division of Chemical Information, American Chemical Society

The Committee has produced several teaching modules which contain online searches that illustrate typical information problems. Searches are annotated to emphasize searching techniques. Send requests for print copies to: Arleen Somerville, Carlson Library, University of Rochester, Rochester, NY 14627. Email: asomerville@RCL.lib.rochester.edu

Teaching modules available include:
An introduction to Computer Searching of Chemical Abstracts, STN International (accessed Jan 1999) (also available in print)

An Introduction to Computer Searching of Chemical Abstracts, DIALOG

The Committee also presents a workshop on teaching chemical information at regional and national ACS meetings, as well as other meetings. Materials from this workshop are available on the web. (accessed Jan 1999)

International Chemical Information Conference

The conference is held annually in France and the proceedings are published. Proceedings from the 1996-97 conferences were published by Infonortics Ltd; earlier proceedings were published by the Royal Society of Chemistry (Special Publication 100, 120, 142). Papers provide an overview of online systems, search and retrieval software as well as analyses of chemical information issues.

Database vendors/producers

BIBLIOGRAPHY

Guides/Sourcebooks/Proceedings
Guides to Chemical/Scientific Information

These works present an overview of major chemical information sources. Typically content, arrangement, and utility of the sources are discussed and insights are provided as to how to use them effectively. These guides could be suitable textbooks or readings for a chemical information course.

Allan, Barbara C.; Livesey, Brian. How to use Biological abstracts, Chemical abstracts, and Index Chemicus 2nd Ed. ; H. W. Wilson Co.: Gower, New York, 1994.
Compares the utility of one index over another using various questions. The print versions are used for the extensive search examples . Each source is described and features of the indexes outlined. Brief descriptions of the online databases are also included. The figures include copies of the relevant sections from each source, which is useful for those without in-house access to these databases. Examples can be useful for a lecture on comparing/evaluating information sources.

Barcelon-Yang, Cynthia S. et al. "Information Retrieval". In Kirk-Othmer Encyclopedia of Chemical Technology, 4th ed.; Wiley: New York, 1996; Vol 14, pp 220-276.
Major trends in information retrieval are discussed and online database resources are described. Several tables provide information on various types of databases (listing producer, vendor and subject coverage). Chemical information search methods are discussed such as structure, and numeric searching and searching for spectra.

Carr, Carol; Somerville, Arleen N. "Coping with the Transformation of Chemical Information", In Using Computers in Chemistry and Chemical Education; Zielinski, Theresa A. and Swift, Mary L. Eds.; American Chemical Society: Washington DC, 1997 pp. 109-131.
Traces the development of the primary types of chemical information and discusses the transformation of these information sources into electronic products and services. Information skills needed by chemists in this new environment are outlined and a brief review of methods of providing information instruction is presented .

Hurt, Charlie Deuel Information Sources in Science and Technology. 3rd ed.; Libraries Unlimited: Englewood CO, 1998.
An annotated compendium of resources in various disciplines. This edition includes prices, and emphasizes sources from the 1990's. An online review of this work is available in: (Issues in Science & Technology Librarianship Fall 1998)

Maizell, Robert E. How to Find Chemical Information: A Guide for Practicing Chemists, Educators and Students. 3rd ed.; John Wiley & Sons, Inc.: New York, 1998.
Largely rewritten and updated, this work includes all formats of chemical information; print, electronic, and the Internet. Not designed as a teaching text but useful as a resource for chemical information students as well as practicing chemists. Contains two chapters on Chemical Abstracts: (History and Essentials of Use) as well as a section on Internet issues and tools. Also includes chapters on current awareness programs and document delivery. Emphasizes methods of evaluating and selecting information tools.

Malinowsky, H. Robert Reference Sources in Science, Engineering, Medicine, and Agriculture, Oryx Press: Phoenix, 1994.
An annotated bibliographic guide to over 2,400 titles. Entries for each discipline include : Abstracts, Encyclopedias, Guides, Handbooks, Histories and selected journals. Also contains brief chapters useful for students which discuss: communication in science, sources of information (such as databases, electronic journals, preprints) and types of reference sources (such as abstracts, dictionaries, handbooks).

Pritchard, Eileen; Scott, Paula R. Literature Searching in Science, Technology, and Agriculture. Rev. ed.; Greenwood Press: Westport Connecticut, 1996.
The book is targets the end-user, presenting basic information for researchers. Describes print and electronic resources in various scitech disciplines. Most areas are examined, although environmental coverage is light, and discussion of the geosciences and patent literature or tools is lacking An online review of this work is available in: (Issues in Science & Technology Librarianship Summer 1997)

Ridley, Damon D. Online Searching: A Scientist's Perspective - A Guide for the Chemical and Life Sciences; John Wiley & Sons, Inc: New York, 1996.
This is primarily a how-to guide for scientists who wish to do their own searching on STN International, focusing on the chemistry and life science files. The author is a professor of chemistry at the University of Sydney. The book has an outline format with key points highlighted at the beginning and end of chapters. The book contains many screen captures from searches which could be used as class examples. An online review of this book is available in: (Issues in Science & Technology Librarianship Summer 1997)

Warr, Wendy; Suhr, Claus "Information and Documentation" In Ullmann's Encyclopedia of Industrial Chemistry. 5th ed.; 1990 Vol B1, chapter 12, pp. 1-107.
A mini-text on chemical information. Contains the typical sections on the primary literature (including patents), abstracting and indexing services, reviews/handbooks and encyclopedias. Also includes information on the gray literature (such as house journals, trade literature and working papers), business and economic information, numeric and factual databases, and chemical structure handling. Discusses online searching and records management. Includes several sections on information technology (hardware, software, expert systems, artificial intelligence) Key resources are briefly described. Extensive references lead to more complete information. A detailed table of contents is provided.

Seminar Proceedings

These works contain chapters/papers that cover specific aspects of chemical information. The papers can provide a useful overview of a particular topic

Philip, G. "The Montreux 1993 International Chemical Information Conference, Annecy, France - A View from the Floor"; J. Infor. Sci. 1994 20(4), 300-303.
An incisive review of the papers given at the Conference. The author offers his opinions of the state of online chemical databases and lists several factors that vendors must stress to improve the utility of chemical databases including: standardizing user interfaces, lowering the costs, promoting increased awareness of leading edge systems in the academic community, and encouraging the inclusion of chemical information systems in the chemical curriculum. (See the International Chemical Information Conference entry in the Continuing Sources section above for a description of this annual conference)

Guides/Comparisons-Specific Areas of Chemistry

Listed here are articles published since the 1993 article which discuss a specific area of chemistry.

Organic Chemistry

Georgia State University. Chemistry Department. Organic Chemistry Resources Worldwide (accessed Oct 1998) The first section of this web site is devoted to the literature of organic chemistry and has links in these categories: Chemical Information, Databases, Articles, Patents On-line Journals, Reviews, Books, Awareness, Bibliography Managing. Each of these categories is further subdivided and provides brief descriptions and links to the specific sources discussed.

Polymers

Bolek, A.D. "Finding that Elusive Polymer Information"; Abs. Papers Am. Chem. Soc. August 22, 1993, 206 (pt. 1)87 CHED.
Presented the types of polymer data needed by researchers and described sources for that information.

Toxicology

Ludl, H.; Schoepe, K.; Mangelsdorf, I. "Searching for Information on Toxicological Data of Chemical Substances in Selected Bibliographic Databases - Selection of Essential Databases for Toxicological Research"; Chemosphere 1996, 32(5), 867-80.
Using information from printed and online database guides, 18 online databases, which cover toxicology. were selected. A search for literature on three selected chemicals was carried out with each of the databases, and the number of documents relevant to toxicology found in them was compared by computer-assisted analysis. Databases varied in their coverage of toxicology and contained numerous duplicates (refs. common to more than one database). Most of the relevant documents could be obtained using only 8 of the 18 databases selected. These databases are: Biosis Previews (BIOSIS), Chemical Abstracts. (CA), Chemical Safety Newsbase (CSNB), Excerpta Medica (EMBASE), National Institute for Occupational Safety and Health (NIOSH), SciSearch, TOXLINE and TOXLIT.

Voigt, Kristina; Bruggemann, Rainer. "Toxicology Databases in the Metadatabank of Online Databases"; Toxicology 1995 100(1-3), 225-240.
Toxicology clusters of DataStar, DIALOG, DIMDI and STN are listed and compared. As part of a research project at the German National Research Centre for Environment and Health approximately 400 online databases have been evaluated and the results are stored in a metadatabank of online databases. The project also aims to help users choose the most appropriate database(s) for a specific query. The evaluation criteria and measurement techniques are described. The studies identified Chemical Abstracts as the best databank for toxicology information. See also Voigt, K., Bruggemann, R. "Evaluation Criteria for Environmental and Chemical Databases", Online & CD-Rom Review 1998 22(4), 247-262.

Guides/Comparisons-Specific Information Sources

Beilstein

The Beilstein System: Strategies for Effective Searching, Heller, Stephen R., Ed; ACS: Washington DC, 1997.
Provides in-depth information on the print and online versions of Beilstein. Most useful as background for chemical information instructors. Several chapters discuss the design of the data and search systems for the database. The chapters by Lawson and Zass provide search tips and examples on reaction searching useful in training graduate students. The chapter by Zass compares Beilstein with other reaction databases. A chapter on Autonom discusses the difficulties of organic nomenclature and describes various computer systems for generating chemical names. A review of this book can be found in (Issues In Science & Technology Librarianship 1998 No. 18, Spring)

Heller, Stephen R. "The Beilstein NetFire system"; TRAC-Trends in Anal. Chem. 1997, 16 (3),112-115.
Describes NetFire, a bibliographic file integrated into the Beilstein CrossFire system, which allows searching approximately 140 organic chemistry journals back to 1980. NetFire is available to CrossFire subscribers at an additional cost. Search techniques and a comparison to Chemical Abstracts are included.

Zass, Engelbert "From Handbooks to Databases on the Net: New Solutions and Old Problems in Information Retrieval for Chemists"; J. Chem Inf. Comput. Sci. 1996, 36, 942-948.
Pitfalls for searchers of Beilstein and Chemical Abstracts are discussed, and the producers of these resources are exhorted to enhance the quality of their data. The user-friendly interfaces which are now available lull the users into a false sense of security. Indexing policies such as including only the first ten authors (a CA policy) and variations in indexing NMR data in both CA and Beilstein are discussed. The exploration of indexing policies and their impact is good material for a lecture on quality of databases. Also a good reading assignment for students to remind them that they must be aware of the indexing and coverage policies of a database.

Chemical Abstracts

Buntrock, Robert E ."It's better in Stereo--Searching Stereochemical Structures. (StereoSearch)"; Database 1994 17 (Oct./Nov.) ,115-118+
Provides a brief introduction to stereochemistry. A search example provides detailed information for searching stereoforms of absciscic acid. The command-based non-graphical method of structure searching in STN's Registry file is used. Perhaps too specialized for an introductory class but a good example for advanced students.

Buntrock, Robert E. "In the Abstract. (Searching the Abstract Field in CA files)"; Database 1992 15 (Feb), 94-95.
Provides examples of searches where the search terms appeared only in the abstract field. The examples could be used to demonstrate free text versus controlled term searching.

Buntrock, Robert E. "Name Searching of Chemical Compounds: a Rose by any Other Name"; Database 1993 16 (Feb.); 102-104.
Demonstrates the chemical name searching features in the CA (Chemical Abstracts) file on STN.

Buntrock, Robert E. "Gold (CASRN=7440-57-5) is Where you Find it, or Caveats on finding Chemical Substances using CASRN. (Chemical Abstracts Registry Numbers)"; Database 1995 18 (June/July), 50-52+
Useful insights on using the CAS registry numbers to retrieve information from Chemical Abstracts. Could provide examples for an advanced class on Chemical Abstracts.

Buntrock, Robert E. "Playing the Chemical Numbers Game: CAS Registry Numbers (CASRN) Revealed"; Database 1996 19 (Aug./Sept.), 72-77.
Contains a brief explanation and history of the registry number system and an introduction to chemical nomenclature useful for an introductory class on Chemical Abstracts. Describes the difficulties of using chemical nomenclature to retrieve compounds and gives examples of when and how to use Registry Numbers in online searches.

Roth, Dana "Inexpensive `Structure' Searching: Expanding Chemical Names"; Searcher 1998, 6(7), 19-22
Includes a discussion of the difficulties of chemical nomenclature and attempts to standardize it. Demonstrates that a costly structure search is not always necessary by describing a search which uses the Ring Systems Handbook, the CAS Index guide and the complete name index of the CAS ZREG file on STN. A three ring compound is identified using these tools rather than a structure search.

Roth, Dana "Caveat Chemicus: Practical Guidance to Searching Chemical Abstracts"; Searcher 1998, (3), 12, 14, 16-17
A good introduction to the size, scope and source material of Chemical Abstracts. CA inclusion policies are reviewed. The implication of indexing policies for comprehensive searching is discussed in detail with some specific examples. CA is compared with other sci-tech megabases as to coverage, indexing and abstracting. The importance of the Index Guide is stressed. An excellent resource for searchers and students. In a brief article, covers many of the key points a CA user must take into account in order to use this resource effectively.

Somerville, Arleen N. "Subject Searching of Chemical Abstracts Online - Searching in the Basic Index"; J. Chem. Educ. 1993, 70(3), 200-203
Stresses the importance of understanding the indexing policies, searchable fields, and types of terms in computer records when planning a computer search. Uses records from Chemical Abstracts on STN to demonstrate important characteristics of the Chemical Abstracts database. A sample search is outlined and the types of terms available in the various fields are explained, along with the basic steps for planning and executing a search using various search operators. This example could easily be incorporated into a class on searching Chemical Abstracts.

Zass, Engelbert "From Handbooks to Databases on the Net: New Solutions and Old Problems in Information Retrieval for Chemists"; J. Chem Inf. Comput. Sci. 1996, 36, 942-948.
(See Zass in Beilstein Section for Abstract)

Other Chemistry Databases

Buckingham, John "The Chapman & Hall Chemical Database"; IATUL Quarterly 1991 5(2), 108-116
Provides a history of the Dictionary of Organic Compounds as well as the publisher's other Dictionaries (such as Dictionary of Natural Products). Traces the products' evolution to electronic databases. Editorial organization and content are described.

Carr, Carol.; O'Neill, Patricia E. " Adding INSPEC to your Chemical Search Strategy--Let's Get Physical"; Database 1995 18 (Apr./May), 99-102.
Describes the chemical information and chemical searching features contained in the online version of INSPEC and compares INSPEC to Chemical Abstracts. Several searches are discussed which would be useful for classes comparing these two resources. STN is used in the examples.

Herrwerth, I.; Bohmer, U. "The Gmelin Factual Databank - a Modern Information Source in Chemistry and Physics"; Interdisciplinary Science Reviews 1995 20(1), 66-70.
Describes how the Gmelin database can offer improved search strategies for the scientific literature in the area of inorganic and organometallic chemistry. A search question (properties of some superconducting ceramics) is used to demonstrate the features and capabilities of the Gmelin database on the STN search system. Scope, size and field structure of the database are described. Search strategy and output options are outlined.

Guides-Specific Types of Sources

Copyright

Somerville, A. N.; Torrey, R. P. "What Students Should Know about Copyright"; Abs. Papers Am. Chem. Soc. March 24 1996, 211 (pt. 1) 62 CHED.
Presented a preliminary version of the instructional material prepared by the ACS Copyright Committee for classroom use. Also available from the American Chemical Society: What Every Student Needs to Know About Copyright; ACS: Washington, DC, in press. Unpublished work Copyright 1998

Internet/web

The Internet: A Guide for Chemists; Bachrach, S. M., Ed; ACS Books: Washington DC, 1996.
The chapter on the history of the Internet can provide background material for instructors. A glossary provides extensive definitions of Internet terminology. Other chapters contain primarily technical information on maintaining, configuring and using e-mail, gophers, e-lists, e-conferences and web browsers. The lists of web resources provided may be out of date, considering the publication date of the work.

MurrayRust, P.; Rzepa, H. S.; Whitaker, B. J. "The World-Wide Web as a Chemical Information Tool"; Chem. Soc. Rev. 1997 26 (1), 1-10.
This review introduces the basic structures that characterize the Web and how standards and methods for expressing chemical content by this means have evolved during the last three years. Outlines the challenges that face the chemical community in adopting this new medium as an information tool, with a focus on electronic journals and electronic conferences

Patents

Auger, C.P. Information Sources in Patents; Bowker-Saur: New York, 1992.
This book can provide background material for instructors designing a segment on patents for a chemical information class. Chapters include: overviews of the patenting process in various countries ; descriptions of announcements and abstracting service products; types of patent searches; and search techniques. Includes chapters on the importance of patents in engineering, chemistry and life science. The chapter on chemical patents is devoted primarily to the pharmaceutical industry. The research and patenting process in the pharmaceutical industry is described and the problems in searching for organic compounds in the patent literature are discussed

Hauf, Werner "Patents" . In Ullmann's Encyclopedia of Industrial Chemistry. 5th ed.; 1990 Vol B1, chapter 13, pp. 1-23.
Primarily an explanation of the legal procedures for obtaining patents in the U.S. and Europe. The chapter aims to help inventors learn how to obtain a patent. Also includes information on what may be patented and the rights granted by a patent. Most useful for instructors as background material on the rules and conventions of patent applications and litigation. Section three: "Examples for the Wording of Claims" provides actual claims from chemical and pharmaceutical patents; discusses the specific patentability situations these represent and describes how the patent applications were examined and defended.

Kawakami, Alice K. "Patents and Patent Searching" Issues in Science & Technology Librarianship 1998. (No 17, Summer) (accessed Jan 1999).
Provides basic information on patents. Briefly describes search tools provided by the US Patent Office and outlines how to search for patents using the patent classification system. Contains a brief discussion of patent issues in academe. Also describes and provides links to some web patent resources and patent information sites.

Lambert, Nancy; "A Comparative Study Between Patent Resources on the Internet and Online Patent Databases." Abs. Papers Am. Chem. Soc. April 2 1996, 215 (pt. 1) 388 CINF
Summarized Internet resources currently available for searching patents and discussed capabilities unique to both Internet and commercial online resources.

Simmons, Edlyn S.; Kaback, Stuart M. "Patents (literature)". In Kirk-Othmer Encyclopedia of Chemical Technology, 4th ed.;Wiley: New York, 1996; Vol 18, pp 102-156.
Provides background information on patents and the patenting process and discusses advances in patent databases and documentation. Reviews patent databases and searching methods (including chemical structure searching) as well as types of patent searches such as novelty and infringement searching. Tables list patent databases and patenting countries with their ISO codes and databases which cover them.

Walker, Richard D. Patents as Scientific and Technical Literature; Scarecrow Press Inc Metuchen, NJ, 1995.
Despite its title, only the first chapter specifically discusses patents as an emerging information source. This chapter may provide some useful lecture material for a class on patents. The chapter on interpreting patent documents includes a useful section on how to read a patent, which describes the content/purpose of different parts of a patent. The "Characteristics of Patents" chapter discusses biotechnology and computer technology patenting issues including some specific interesting examples (e.g. Louis Pasteur was granted a patent in 1873 which may be the first patent granted for a microorganism). Two lengthy chapters describe patent databases and patent searching. Databases described include general services such as Derwent, plus specialized services such as Pharmsearch. A table summarizes information on 25 databases. Online search techniques useful for patent searching (Markush, classification codes, etc) are briefly described along with the various types of patent searches (prior art, infringement etc). Extensive appendices include a bibliography, a glossary of patent terms, addresses of database producers/vendors/hosts, and patent office addresses. (Unfortunately urls are not included in these lists).

Teaching Chemical Information

Web Resources for Instructors