The Beilstein System Strategies for Effective Searching

by Heller, Stephen R.

• ISBN13: 9780841235236
• ISBN10: 0841235236
• Format: Hardcover
• Copyright: 1997-12-18
• Publisher: American Chemical Society

Summary

The Beilstein System is a comprehensive online database for information on organic molecules, reactions, structures, and related topics in organic chemistry. This book describes the growth of the Beilstein System, the new CrossFire search system, and the CrossFire- plus -Reactions database. It provides complete overviews of Current Facts in Chemistry on CD-ROM and the Beilstein database of structures, data, and literature citations. The book also discusses Autonom, a software program that gives chemical names of structures following IUPAC nomenclature rules. It will be an invaluable tool for anyone using the Beilstein System.

Table of Contents

Contributors	xiii	(2)
Preface	xv
1. The Beilstein System: An Introduction	1	(12)
Stephen R. Heller
Introduction to the Beilstein System	1	(3)
Evolution of the Beilstein Institute	4	(2)
Chemical Abstracts and Beilstein	6	(1)
NetFire	6	(1)
CrossFire Gmelin System	7	(1)
Coverage of the Periodic Table	7	(1)
Chapter Overviews	8	(5)
2. The Beilstein Handbook	13	(16)
Reiner Luckenbach
Introducing Beilstein	13	(1)
Introduction to the Beilstein Handbook	14	(3)
Arrangement of the Beilstein Handbook	17	(1)
Arrangement of Individual Beilstein Entries	17	(1)
How To Search For and Find Compounds	18	(2)
Mechanisms of Quality Assessment and Quality Control as Applied to the Beilstein Handbook	20	(7)
Conclusions	27	(1)
Summary and Future	27	(2)
3. The Beilstein Online Database	29	(18)
Andreas Barth
General Design of the Database	30	(4)
Chemical Substance Information	34	(3)
Chemical Reaction Information	37	(2)
Physical Property Data	39	(5)
General Fields and Bibliographic Information	44	(1)
Summary and Conclusions	45	(1)
Acknowledgment	46	(1)
4. Current Facts in Chemistry on CD-ROM	47	(8)
Wendy Warr
Bernd Wollny
The Databases	48	(1)
The Structure Editor and Structure Searches	48	(1)
The Fact Editor and Text Searching	49	(1)
Displaying Results	50	(2)
Documentation	52	(1)
Future Developments	52	(3)
5. Computer Systems for Substructure Searching	55	(18)
John M. Barnard
Dirk Walkowiak
Parallel Computing	57	(1)
Backtracking and Partitioning	57	(2)
Screening	59	(1)
Tree-Structured Fragment Searches	60	(2)
The CrossFire Server--General Architecture	62	(1)
The CrossFire Structure Retrieval Engine	63	(6)
Reaction Retrieval	69	(1)
User Databases	69	(4)
6. CrossFireplusReactions	73	(26)
Alexander J. Lawson
The Beilstein File	74	(3)
The Search and Retrieval Performance of CrossFire	77	(3)
The User Interface	80	(3)
Reactions under CrossFire	83	(14)
Future Directions	97	(2)
7. Using the Beilstein Reaction Database in an Academic Environment	99	(34)
Engelbert Zass
Introduction to Reaction Databases	99	(4)
The Beilstein Information System	103	(4)
Reaction Searching in CrossFireplusReactions and Other Databases	107	(14)
Reaction Databases at the ETH Zurich Chemistry Department	121	(3)
Conclusions	124	(1)
Appendix: Operational Experience with Beilstein CrossFire	124	(2)
Acknowledgments	126	(7)
8. Beilstein's CrossFire: A Milestone in Chemical Information and Interlibrary Cooperation in Academia	133	(16)
Ken Rouse
Roger Beckman
Beilstein in Academia Before CrossFire	134	(2)
Reception and Use of CrossFire	136	(4)
The CrossFire Difference	140	(1)
End Users, CDs, and the Fixed-Price Factor	141	(2)
The CIC Arrangement	143	(3)
Implications for the Future	146	(3)
9. Use of the Beilstein System in the Chemical and Pharmaceutical Industries	149	(12)
Wendy Warr
Industry and Academia	149	(1)
Advantages of CrossFire	150	(1)
The Beilstein Database	151	(1)
CrossFire Gmelin	152	(1)
Pricing	153	(1)
Integration	154	(2)
Supporting End Users	156	(1)
Training	157	(2)
NetFire	159	(2)
10. AutoNom	161	(40)
Janusz L. Wisniewski
Systematic Chemical Nomenclature	167	(1)
Computerization of Organic Chemical Nomenclature	168	(3)
Automatic Name Construction from Structural Diagrams	171	(21)
Nomenclature Implemented in the AutoNom System	192	(1)
Performance of the Algorithm	193	(4)
Summary	197	(4)
Index	201