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Bioinformatics Advance Access originally published online on January 3, 2007
Bioinformatics 2007 23(4):515-516; doi:10.1093/bioinformatics/btl637
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© The Author 2006. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oxfordjournals.org

MinSet: a general approach to derive maximally representative database subsets by using fragment dictionaries and its application to the SCOP database

Alessandro Pandini 1, Laura Bonati 1, Franca Fraternali 2 and Jens Kleinjung 3,*

1 Dipartimento di Scienze dell'Ambiente e del Territorio, Università degli Studi di Milano-Bicocca Milano, Italy
2 Bioinformatics Unit, King's College London, UK
3 Division of Mathematical Biology, National Institute for Medical Research The Ridgeway, London NW7 1AA, UK

*To whom correspondence should be addressed.


   Abstract

Motivation: The size of current protein databases is a challenge for many Bioinformatics applications, both in terms of processing speed and information redundancy. It may be therefore desirable to efficiently reduce the database of interest to a maximally representative subset.

Results: The MinSet method employs a combination of a Suffix Tree and a Genetic Algorithm for the generation, selection and assessment of database subsets. The approach is generally applicable to any type of string-encoded data, allowing for a drastic reduction of the database size whilst retaining most of the information contained in the original set. We demonstrate the performance of the method on a database of protein domain structures encoded as strings. We used the SCOP40 domain database by translating protein structures into character strings by means of a structural alphabet and by extracting optimized subsets according to an entropy score that is based on a constant-length fragment dictionary. Therefore, optimized subsets are maximally representative for the distribution and range of local structures. Subsets containing only 10% of the SCOP structure classes show a coverage of >90% for fragments of length 1–4.

Availability: http://mathbio.nimr.mrc.ac.uk/~jkleinj/MinSet

Contact: jkleinj{at}nimr.mrc.ac.uk

Supplementary information: Supplementary data are available at Bioinformatics online.

Associate Editor: Charlie Hodgman


Received on September 12, 2006; revised on December 11, 2006; accepted on December 12, 2006

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