Abstract
This paper proposes extensions to the relational database model that allow chemical structure and other complex data types to be included in a relational database. It is argued that this approach provides benefits over the common practice of storing chemical structures in a chemical database system and associated research data in a relational or other general database system. The design, implementation, and usage patterns of an extended relational system are discussed in the context of the Upjohn Cousin compound information system. Emerging extensibility features that support the proposed approach within commercially available database systems are reviewed.
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References
Ahrens, E. K. F. ‘Customisation for Chemical Database Applications’. In Chemical Structures: The International Language of Chemistry; Warr, W.A., Ed.; Springer- Verlag: Berlin, 1988; pp. 97–111.
Hagadone, T. R. ‘Current Approaches and New Directions in the Management of In- House Chemical Structure Databases’. In Chemical Structures: The International Language of Chemistry; Warr, W.A., Ed.; Springer-Verlag: Berlin, 1988; pp. 23–41.
Database Language - SQL; Technical Committee on Database, X3H2; American National Standards Institute: New York, 1986.
Howe, W. J.; Hagadone, T. R. ‘Molecular Structure Searching: Computer Graphics and Query Entry Methodology’. J. Chem. Inf. Comput. Sci. 1982, 22, 8–15.
Hagadone, T. R.; Howe, W. J. ‘Molecular Substructure Searching: Minicomputer-based Query Execution’. J. Chem. Inf. Comput. Sci. 1982, 22, 182–186.
An Introduction to Database Systems ; Date, C.J.; 3rd Ed.; Addison-Wesley: Reading, Massachusetts, 1982.
Stonebraker, M. ‘Adding Semantic Knowledge to a Relational Database System’. In On Conceptual Modelling’, Brodie, M. L.; Mylopoulos, J.; Schmidt, J. W., Eds; Springer- Verlag: New York, 1984; pp. 333–343.
Stonebraker, M. ‘Inclusion of New Types in Relational Data Base Systems’. In Proceedings of IEEE/Data Engineering 1986, 262–269.
Barnard, J. M. ‘Problems of Substructure Search and their Solution’. In Chemical Structures: The International Language of Chemistry; Warr, W.A., Ed.; Springer- Verlag: Berlin, 1988; pp. 113–126.
Similarity and Clustering in Chemical Information Systems; Willett, P.; Research Studies Press: Letchworth, 1987.
Codd, E. ‘A Relational Model of Data for Large Shared Data Banks’. Commun. ACM 1970, 13, 377–387.
Codd, E. ‘Extending the Database Relational Model to Capture More Meaning’. ACM Transactions on Database Systems 1979, 4, 397–434.
Carey, M., Ed. ‘Special Issue on Extensible Database Systems’. Database Engineering, 1987.
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© 1993 Springer-Verlag Berlin Heidelberg
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Hagadone, T.R., Lajiness, M.S. (1993). Integrating Chemical Structures into an Extended Relational Database System. In: Warr, W.A. (eds) Chemical Structures 2. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-78027-1_22
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DOI: https://doi.org/10.1007/978-3-642-78027-1_22
Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-642-78029-5
Online ISBN: 978-3-642-78027-1
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