Construction of a Linux based chemical and biological information system |
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Authors: | Molnár ászló Vágó István Fehér András |
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Affiliation: | Computer Assisted Drug Discovery, Gedeon Richter Ltd., H-1475 Budapest, Hungary. molnar.laszlo@richter.hu |
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Abstract: | A chemical and biological information system with a Web-based easy-to-use interface and corresponding databases has been developed. The constructed system incorporates all chemical, numerical and textual data related to the chemical compounds, including numerical biological screen results. Users can search the database by traditional textual/numerical and/or substructure or similarity queries through the web interface. To build our chemical database management system, we utilized existing IT components such as ORACLE or Tripos SYBYL for database management and Zope application server for the web interface. We chose Linux as the main platform, however, almost every component can be used under various operating systems. |
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Keywords: | chemical database Linux relational database similarity search |
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