Customisation for Chemical Database Applications
An important need in the chemical/pharmaceutical industry is for a chemical database system that will serve diverse information needs. From the chemist’s viewpoint, structures are central to these needs, but others involved with biological screening or inventory control have a different, though related, viewpoint. The applications of these diverse users demand flexibility in a chemical database system. Further, new technology in networks, distributed databases, and workstations will lead to additional differences in chemical database systems among companies and their departments. To meet these diverse needs, a chemical database system must be customisable. This paper reviews a system that solves many of these chemical database applications today, Molecular Design’s MACCS-II with its Customisation and DBMS Interface Modules, and discusses how the chemical/pharmaceutical industry can take advantage of new technologies through customisable chemical database systems in the future.
KeywordsSorting Kelly Editing Toxicology Phenobarbital
Unable to display preview. Download preview PDF.
- 1.Communication, Storage and Retrieval of Chemical Information; Ash, J.E., Chubb, P., Ward, S.E., Welford, S.M., Willett, P., Eds.; Ellis Horwood: Chichester, 1985.Google Scholar
- 2.Aster Guide to Computer Applications in the Pharmaceutical Industry: Molecular Designs Integrated System for Drug Design; Wipke, W.T. Ed.; Aster Publishing: Springfield, Oregon, 1984.Google Scholar
- 4.Chemical Information Systems; Ash, J.E., Hyde, E., Eds.; Ellis Horwood: Chichester: 1975.Google Scholar
- 7.Dill, J.D., Hounshell, W.D., Marson, S., Peacock, S., Wipke, W.T. ‘Search and Retrieval Using an Automated Molecular Access System’, paper presented at 182nd National Meeting of the American Chemical Society, New York, August, 1981.Google Scholar
- 9.The INGRES Papers; Stonebraker, M. Ed.; Addison-Wesley: Menlo Park, California, 1986.Google Scholar
- 10.An Introduction to Database Systems; Date, C.J. Ed.; Addison-Wesley: Menlo Park, California, 1982.Google Scholar
- 12.Kos, A. ‘Future Trends in Software’, paper presented at the Second European Seminar on Computer-Aided Molecular Design, Basel, Switzerland, October, 1985.Google Scholar
- 13.Ahrens, E.K.F. ‘Applications Prototyping with the MACCS-II Customisation Module’, paper presented at the Molecular Design Software Users Group Meeting, San Francisco, California, March, 1987.Google Scholar
- 14.Database Language - SQL; Technical Committee on Database, X3H2; American National Standards Institute, New York, 1986.Google Scholar