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Chemical structure matching using correlation matrix memories

Austin, J, Turner, A, Turner, M and Lees, K (1999) Chemical structure matching using correlation matrix memories. In: NINTH INTERNATIONAL CONFERENCE ON ARTIFICIAL NEURAL NETWORKS (ICANN99), VOLS 1 AND 2 :. 9th International Conference on Artificial Neural Networks (ICANN99), 1999-09-07 - 1999-09-10, EDINBURGH. IEEE , EDISON , pp. 619-624. ISBN 0-85296-721-7

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Abstract

This paper describes the application of the Relaxation By Elimination (RBE) method to matching the 3D structure of molecules in chemical databases within the frame work of binary correlation matrix memories. The paper illustrates that, when combined with distributed representations, the method maps well onto these networks, allowing high performance implementation in parallel systems. It outlines the motivation, the neural architecture, the RBE method and presents some results of matching small molecules against a database of 100,000 models.

Item Type: Proceedings Paper
Copyright, Publisher and Additional Information: Copyright © 1999 IEE. Personal use of this material is permitted. However, permission to reprint/republish this material for advertising or promotional purposes or for creating new collective works for resale or redistribution to servers or lists, or to reuse any copyrighted component of this work in other works must be obtained from the IEEE.
Keywords: ALGORITHM
Academic Units: The University of York > Computer Science (York)
The University of York > Electronics (York)
Depositing User: Sherpa Assistant
Date Deposited: 01 Sep 2006
Last Modified: 17 Oct 2013 15:18
Status: Published
Publisher: IEEE
Refereed: No
Related URLs:
URI: http://eprints.whiterose.ac.uk/id/eprint/1528

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