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BOOK REVIEWS Mathematical Modeling in Chemistry. Edited by Paul G. Mezey. VCH: Weinheim, Germany. 1991. 386 p. $200.00. ISBN 1-56081-148-X. Although mathematical methods for modeling molecules have sometimes received less attention than molecular modeling, chemists are increasingly finding that mathematical approaches, such as chemical graph theory and topology, are extremely effective for the description of molecular properties and chemical reactions. This book is intended both to summarize some of the most important recent developments for those already in the field as well as to provide an overview for those who wish an introduction to these methods. Those interested in learning more about mathematical modeling may well find this to be a helpful book. The coverage is broad, and the authors, drawn from the presenters at a 1989 symposium entitled Progress in Mathematical Modeling in Chemistry, represent an international roster of those working on mathematical methods. The level of discussions should be appropriate for those interested in learning more about this field and is consistent from paper to paper. It is, of course, always difficult to obtain an integrated development of ideas from a selection of papers by different authors. The absence of an index is also regrettable in a work intended to serve as a reference. Although the book is paperbound, the format is very readable, including many figures and diagrams. The articles are grouped under four main headings. The first section consists primarily of articles which deal with the use of topological methods for comparing molecules, techniques which have found considerable application in the design of new drugs. Papers in the second section describe the use of mathematical formulations, such as reaction graphs or geometric methods, to model chemical reactivity. Determination of quantitative structure/ activity relationships (QSAR) are of special interest in medicinal chemistry, and the third, and longest, section focuses on mathematical methods for representing the link between molecular structure and chemical or biological activity. The final section brings together a variety of different methods, including factor analysis, a graph theoretical formulation of the PariserParr-Pople method, and the description of a computer method used to assign IUPAC nomenclature to acyclic compounds. The book not only is aimed primarily at those involved with theoretical chemistry, molecular design, molecular structure, and spectroscopy but also may be useful to those interested in the processing of chemical information.
Harry E. Pence SUNY-Oneonta CI9402791
Patty’s Industrial Hygiene and Toxicology. 4th ed., Vol. II, Part A-Toxicology. By George D. and Florence E. Clayton. John Wiley and Sons: New York. 1993. 945 pp. $195.00. ISBN 0-471-54724-7. This volume is one of six books in a three volume collection. It is an update after 12 years during which significant amounts of data were generated on the subject of toxicology. These new data were incorporated in this new edition as noted in the vast number of references included at the end of each chapter. Chapter 1 starts out with an overview and historical perspective on the subject including information about how industrial toxicology labs were started without government intervention. Succeeding chapters cover specific grouping of chemicals according to their importance in toxicology and their strong affect on man and animals. Of course, occupational carcinogens are given first billing and significant amounts of specific data are included on these carcinogens. Tobacco as a complex ingredient in the environment is given good coverage this time, thus bringing this field up-to-date with current thinking on the subject. The sections that I found to be most
beneficial were those on formaldehyde (Chapter 6) and ethers (Chapter 8). Not only are the chemicals covered from a toxicology standpoint, but good handling practice is given for the more dangerous materials. This is a practical book filled with tables and graphs that helps you make good decisions on the use and handling of most of the dangerous chemicals we find in the industrial and academic settings. Comparisons are given for the regulations of various chemicals by the U.S.EPA and the Canadian and European counterparts. In some cases, the other authorities have more information on some subjects, such as Canada’s vast amount of information on asbestos exposure. This approach clearly widens the usefulness of this volume. TLVs, PELS, and RELs are given for each type of compound found in the chapters. These upper limit values are widely used by industrial hygienists worldwide. Although the groupings in this volume may seem arbitrary, the information is easy to find using the subject and chemical indices at the end of the book. I believe that Frank Patty’s original intentions for this type of book were carried out in this latest version of the toxicology of industrial chemicals.
Charles E. Fox St. Ambrose University (39402760
Information Retrieval Today. By F. Wilfrid Lancaster and Amy J. Warner. Arlington, VA: Information Resources Press: 1993. xv 341 pp. ISBN 0-87815-064-1. $54.95
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Information Refrieval Today provides an excellent insight into the world of electronic information. This revised, retitled, and expanded edition of Information Retrieval Systems: Characteristics, Testing and Evaluation is a well written and informative book whose purpose is to examine and discuss the organization, control, and secondary distribution of electronic information and the problems associated with it. The authors focus on the subject access problems associated with searching information retrieval systems and discuss in-depth subject analysis, indexing, natural language, controlled vocabulary, and search logic and strategy. The book is divided into 12 chapters and includes an extensive bibliography and a wonderful index. The authors have included 83 exhibits, including drawings, diagrams, and tables that help clarify points being made in the text. The first two chapters of this book provide a solid overview of information retrieval systems and the database industry. The next four chapters focus on subject access, the user-intermediary interface, subject analysis and representation, and the language used in information retrieval. The authors provide clear explanations of all concepts discussed in these chapters and include many literature references for readers who want more information on any particular topic. The remaining chapters focus more on the technical aspects of information retrieval systems and include information on the following: the selection and evaluation of databases, searching the database, factors affecting retrieval performance, and automatic methods of information retrieval. Users are given an opportunity to examine coming trends in the final chapter on future developments in the information retrieval environment. Lancaster and Warner have managed to bring together a large number of topics in a readable and organized fashion. Each chapter follows the next but can also stand on its own. The authors have gone into considerable depth in providing information on the components and problems associated with information retrieval systems. This book is intended primarily as a text for use in courses in the area of information retrieval. It would also be of great benefit to all students of library science, information science or related disciplines, librarians, database producers, and electronic publishers. It should be on the shelf of every library servicing these individuals. Information Retrieval Today is a valuable contribution to the literature.
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Sharon Taylor Mchughlin Library, University of Guelph CI9402035
FDDI Handbook: High-speed Networking Using Fiber and Other Media. By Raj Jain. Addison-Wesley: Reading, MA. 1994. 528 pp. 0-201-56376-2. With asynchronous transfer mode (ATM) and other potentially less expensive high-speed technologies looming on the horizon and with the aging fiber distributed data interface (FDDI) approaching its sixth birthday, one might question whether a handbook on FDDI is warranted. Indeed, this writer must admit to feeling a certain reluctance when asked to review Jain’s work, which would seem to have amved late for the party. Two months, and 528 pages later, however, my concerns have been assuaged. Jain’s work stands out as the definitive reference on FDDI networks for engineers, network managers, students, and others interested in this technology. In addition, Jain’s treatment of optical communications and fiber technology is of sufficient depth as to recommend this work to anyone responsible for deployment of other fiber-based technologies; including ATM. Those familiar with Jain’s earlier work, The Art of Computer Systems Pelformance Analysis (Wiley, 1991), will find the same authoritative treatment, thoroughness, and rigorous attention to detail in the present work but in a much more relaxed style. Interesting sidebars are provided throughout which offer analogies for difficult concepts, historical perspective, technical background, or humorous diversions. Despite the investment in page real estate needed for the sidebars, Jain leaves virtually no aspect of FDDI technology untouched. Indepth coverage is given to FDDI’s physical layer (PHY), media access control (MAC), station (SMT), connection (CMT), and ring (RMT) management. Beyond the basic elements of the protocol, Jain devotes several chapters to FDDI performance modeling, error analysis, and conformance testing. Interworking with other technologies (SONET) and higher layer protocols (TCPIIP and OSI) is also described. Of immediate usefulness to anyone interested in purchasing FDDI products is a chapter that outlines what to look for in products and what questions to ask vendors. Sadly, in his drive for completeness, Jain devotes a full 57 pages to FDDI-I1 and FDDI Follow-On LAN. With the advent of ATM, both of these American National Standards Institute (ANSI) efforts to extend FDDI are losing steam within the standards body and, more importantly, within the trade press and among vendors. This writer questions the amount of coverage afforded them. Beyond his treatment of FDDI, Jain also provides extremely useful information for network installers. The reader will find chapters devoted to cable plant design and analysis and fiber cable installation practices. Jain rounds out this work with appendices that provide further sources of information, status of FDDI standards, and FDDI vendor addresses. The index was found to be intuitive and complete. In summary, this is the most authoritative and complete reference on FDDI that has crossed this writer’s desk. I wholeheartedly recommend it to anyone involved in FDDI development or deployment. It will also find use among those who are in the process of installing fiber cabling in support of other network technologies.
Allen Robe1 Indiana University CI9402082
Virtual Reality Technology. By Grigore Burdea and Phillipe Coiffet. John Wiley & Sons, Inc.: New York. 1994. 400 pp. $54.95. 0-471-08632-0. Virtual reality is, as the authors admit, “a fast evolving topic”. As is typical with books on hot topics, readers should expect to supplement the material presented in this book from other and newer sources as time passes. However, Burdea and Coiffet have thoroughly covered 0095-233819511635-0337$09.00/0
the various technologies in use to date by virtual reality, and such a work is an achievement in itself. The chapters offer a range of topics. “Virtual Reality Tools” discusses and illustrates devices from 3-D probes and sensing gloves to stereoviewers and 3-D sound generators. “Computing Architectures” gets into more detailed analyses of graphics performance and computational load in various configurations. The “Applications” chapter is an intriguing read on its own, since it is not often that specialists contemplate the effect of a new technology on fields other than their own. (For the tightly focused there are three paragraphs in this chapter devoted to drug design and the provision of feedback forces and torques in fitting molecules together.) A detail that enhances the value of this work is the care and effort that has gone into the accompanying illustrations. Many of the figures are from companies and laboratories and provide immediacy to the descriptions. In addition to the expected bibliography, the authors provide a list of companies and research laboratories with contact information. This is a practical and useful review of the technology underlying an interesting and highly touted new scientific tool.
Kimberly J. Parker Yale University CI940207+
Three-Dimensional Chemical S imilarity Searching. By Catherine Peppenell. Computers and Chemical Structure Information Series, Volume 3; David Bawden, Series Ed.; Research Studies Press Ltd.: Taunton, Somerset, England. 1994. 304 pp. $89.95. ISBN 0-86380-145-5. As David Bawden points out in the Preface to this book, similarity searching attempts to restore some of the “browsing” style which can be lost in computerized database searches. The key question in chemical similarity searching is the following: what constitutes “similarity”? We do not always know how to define it, but we think we know it when we see it. The author does not discuss this issue until p 53, where she acknowledges that similarity is “a subjective concept”. When similarity searching is used in the context of drug design, the receptor is the ultimate judge of what compounds are “similar”. In comparing methods, the author of this book used datasets for which biological activity data are available and looked for the ability of similarity searching methods to retrieve compounds with similar biological activities. This volume is largely about one particular approach to 3D structural searching, the atom mapping method, although this method is placed in context by direct comparison to three other methods. The atom mapping method aims at handling very large 3D databases in a reasonable period of time. The introductory chapters provide an extensive review of the history of 2D and 3D database methods. This review is comprehensive and well written and would be a good starting point for newcomers to the subject of chemical databases. The review is followed by a detailed comparison of four methods for 3D database searching: distance distributions, individual distances, atom mapping, and maximum common substructure. Much of the book is dedicated to worked examples, using 10 different datasets, with 109-209 compounds per data set. In most cases, the atom mapping method gave the best results, particularly in the more diverse datasets. In the more homogeneous data sets, the maximum common substructure method was more successful. On the positive side, this book does an excellent job in comparing methods, particularly by the inclusion of many worked examples. It is instructive to look at the kinds of structures which are located with different similarity methods. The book will be of interest both to those who maintain 3D chemical databases and to those who search them. Although the title does not mention it, the text also describes the usefulness of the concept of “dissimilarity”. My major criticism of this volume (and my pet peeve about books in general) is the rather limited index (121 entries). A non-fiction book with a poor index is
0 1995 American Chemical Society
338 J. Chem. In5 Comput. Sci., Vol. 35, No. 2, 1995 like a house with no doors. Yes, you can still find ways to get in, but you will probably go somewhere else.
D. Eric Walters Finch University of Health Sciencesmhe Chicago Medical School ‘219503016
Stereochemistryof Organic Compounds. By Ernest L. Eliel, Samuel H.- Wilen, Lewis N. Mander. John Wiley & Sons, Inc.: New York, NY. 1994. xv 1267 pp. $74.95. ISBN
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0-471-01670-5. It is pleasing to see this masterpiece brought to fruition before the untimely death of Professor Samuel H. Wilen. Precision is required when speaking of stereochemistry. The text of this work is precise, yet enjoyable, easy to read, and appropriate to the subject. There is no excuse for misunderstanding stereochemistry, now that this book is available. Here is the Table of Contents: Preface; 1. Introduction; 2. Structure; 3. Stereoisomers; 4. Symmetry; 5. Configuration; 6. Properties of Stereoisomers. Stereoisomer Discrimination; 7. Separation of Stereoisomers. Resolution. Racemization; 8. Heterotopic Ligands and Faces (Prostereoisomerism, Prochirality); 9. Stereochemistry of Alkenes; 10. Conformation of Acyclic Molecules; 11. Configuration and Conformation of Cyclic Molecules; 12. Stereoselective Synthesis; 13. Chiroptical Properties; 14. Chirality in Molecules Devoid of Chiral Centers; Glossary; Index. Each of these sections is treated in a robust way. Examples illustrate each concept. Appropriate and timely references appear parenthetically in the body of the text. A list of references alphabetized by first author appears at the end of each chapter. The figures that adorn almost every page contain chemical structures, graphs. and diagrams illustrative of the text. Good examples of wedge
0095-2338/95/1635-0338$09.00/0
BOOKREVIEWS and hatched bonds and crossing bonds to suggest perspective appear in Figure 6.23 on p 190, although the structures for dihydroquinine here and quinine on p 232 are missing a ring nitrogen. The missing nitrogen appears correctly in a related structure on p 330. A ring oxygen is missing from one of the structures on p 752, which is unfortunate since this is one of the illustrations for the anomeric effect. The structure for buckminsterfullerene in Figure 11.157 on p 810 shows only part of this spherical molecule. The polarity of a wedge bond is important, and confusing graphical representations appear in Figure 8.73 on p 528. These are minor flaws in an excellent book. Stereochemical terminology is discussed in several places. The glossary gathers the most frequently used terms. The chapter by Mander on stereoselective synthesis makes a distinction between the terms “diastereoselective synthesis” and “enantioselective synthesis”. These terms are enjoying widespread use and could benefit from enhanced clarity. Detailed methods of analysis, purification, and synthesis are not given, nor should they be. That is the purpose of the experimental sections from the original papers. There are excellent examples with references to allow the reader further access to the literature. In chapter seven, in a section on the separation of enantiomers by crystallization, it is mentioned that several spontaneous resolutions approaching 100% have been observed during crystallization. The right amount of information is presented in such a way that the reader is empowered to take part in this rich discussion of stereochemistry. The importance of stereochemistry is now recognized by the academic, governmental, and industrial chemical communities. This magnificent book serves as the guide for all scientists who must get the stereochemistry right. This work is a necessity for all libraries serving chemists and is highly recommended for the personal collections of chemists.
Charles E. Gragg Burroughs Wellcome Co. CI950302Y
0 1995 American Chemical Society
