Graph Based Molecular Data Mining - an Overview

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FISCHER, Ingrid, Thorsten MEINL, 2004. Graph Based Molecular Data Mining - an Overview. 2004 IEEE International Conference on Systems, Man and Cybernetics. The Hague, Netherlands. In: 2004 IEEE International Conference on Systems, Man and Cybernetics (IEEE Cat. No.04CH37583). 2004 IEEE International Conference on Systems, Man and Cybernetics. The Hague, Netherlands. IEEE, pp. 4578-4582. ISBN 0-7803-8567-5. Available under: doi: 10.1109/ICSMC.2004.1401253

@inproceedings{Fischer2004Graph-24301, title={Graph Based Molecular Data Mining - an Overview}, year={2004}, doi={10.1109/ICSMC.2004.1401253}, isbn={0-7803-8567-5}, publisher={IEEE}, booktitle={2004 IEEE International Conference on Systems, Man and Cybernetics (IEEE Cat. No.04CH37583)}, pages={4578--4582}, author={Fischer, Ingrid and Meinl, Thorsten} }

eng 2013-08-23T06:50:18Z deposit-license Graph Based Molecular Data Mining - an Overview 2004 IEEE International Conference on Systems, Man & Cybernetics : the Hague, Netherlands, 10-13 October, 2004 / [sponsored by the Systems, Man and Cybernetics Society of the Institute of Electrical and Electronics Engineers, Inc.]. - Piscataway, N.J. : IEEE Service Center, 2004. - S. 4578-4582. - ISBN 0-7803-8566-7 Meinl, Thorsten Meinl, Thorsten Fischer, Ingrid In the past years quite a lot of algorithms concerning frequent graph pattern mining have been published. In this paper an overview on the different methods for graph data mining is given, starting with the greedy searches proposed in the middle of the nineties. The ILP-based approaches are taken into account as well as ideas influenced by basket analyses proposed lately. A remaining question is how the different approaches can be tailored to meet the needs for mining molecules. In this area special problems occur as molecules are not just "normal arbitrary graphs". There are structures that are typical and frequent as rings and chains, some node types resp. atoms occur more often than others. It is an unsolved question how chemically isomorphic mining can be handled. 2013-08-23T06:50:18Z 2004 Fischer, Ingrid

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