Construction of a Linux based chemical and biological information system.
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.
Molnár
László
L
Computer Assisted Drug Discovery, Gedeon Richter Ltd., H-1475 Budapest, Hungary. molnar.laszlo@richter.hu
Vágó
István
I
Fehér
András
A
D001695:Biology; D055598:Chemical Phenomena; D002621:Chemistry; D003628:Database Management Systems / Q000191:economics; D015195:Drug Design; D016247:Information Storage and Retrieval / Q000191:economics; D020407:Internet; D011381:Programming Languages; D014584:User-Computer Interface