Performance evaluation of a fast chemical structure matching method using distributed neural relaxation

Author

Turner, A. ; Austin, J.

Author_Institution

Dept. of Comput. Sci., York Univ., UK

Volume

1

fYear

2000

fDate

2000

Firstpage

201

Abstract

This paper presents an initial investigation of the performance of relaxation by elimination (RBE) using neural networks for matching three dimensional representations of chemical structures (small molecules). The approach differs from traditional schemes in that it uses a binary representation for information, allowing the use of correlation matrix memories (CMMs) for data processing. Furthermore, the use of CMMs allows an inherently parallel system, allowing high-performance processing

Keywords

chemical structure; chemistry computing; molecular configurations; neural nets; pattern matching; relaxation theory; 3D representation matching; correlation matrix memories; data processing; distributed neural relaxation; fast chemical structure matching method; high-performance processing; neural networks; parallel system; performance evaluation; relaxation by elimination; small molecules; Chemicals; Chemistry; Computer architecture; Computer science; Data processing; Databases; Drugs; Neural networks; Shape; Surface fitting;

fLanguage

English

Publisher

ieee

Conference_Titel

Knowledge-Based Intelligent Engineering Systems and Allied Technologies, 2000. Proceedings. Fourth International Conference on

Conference_Location

Brighton

Print_ISBN

0-7803-6400-7

Type

conf

DOI

10.1109/KES.2000.885792

Filename

885792