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Integrating Chemical Structures into an Extended Relational Database System

  • Thomas R. Hagadone
  • Michael S. Lajiness

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.

Keywords

Registry Number Character String Original Query Full Structure Abstract Data Type 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Springer-Verlag Berlin Heidelberg 1993

Authors and Affiliations

  • Thomas R. Hagadone
    • 1
  • Michael S. Lajiness
    • 1
  1. 1.The Upjohn CompanyKalamazooUSA

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