Access to the Structural Chemical Databases via Internet.

V.G. Avakyan, A.O. Ait, A.N. Petrov, J.B. Kopneva, I.I. Baskin, N.N. Kochanova, E.V. Koltunova: Access to the Structural Chemical Databases via Internet CSIT 1999 : E/E

Abstract

The base principles of operation of the software allowing to realize the remote access to the structural chemical databases via Internet is described. Unlike usual text databases, the structural chemical databases contain the information about the chemical structure formula required for the formation of the molecular graph, the search of structures and the visualization of molecules on the PC screen. This information consists of the table specifying the types of atoms and the bonds between them in molecule. The software allowing to create the structural chemical databases was developed using the MS SQL Server tool kit. Molecular structures are stored as a Java-objects in the database. The remote search of chemical structures in the databases is realized by means of Java-applets interacting with the Application Server also developed by us. Input of structural information for the search is performed by user drawing the interesting structure by means the built-in editor of chemical structures

Copyright © 1999 by the Institute for Contemporary Education "JurInfoR-MSU". Permission to copy without fee all or part of this material is granted provided that the copies are not made or distributed for direct commercial advantage, the CSIT copyright notice and the title of the publication and its date appear, and notice is given that copying is by permission of the Institute for Contemporary Education JMSUICE. To copy otherwise, or to republish, requires a fee and/or special permission from the JMSUICE.

Printed Edition

Ch. Freytag and V. Wolfengagen (Eds.): CSIT'99, Proceedings of 1st International Workshop on Computer Science and Information Technologies, January 18-22, 1999, Moscow, Russia. MEPhI Publishing 1999, ISBN 5-7262-0263-5

Electronic Edition