Similarity studies using statistical and genetical methods

Dorota Bielińska-Wąż, Piotr Wąż, Subhash C. Basak

Research output: Contribution to journalArticlepeer-review

14 Scopus citations

Abstract

This paper aims at demonstrating the applicability of statistical spectroscopy and genetic algorithms to the similarity studies. Statistical moments of the intensity distributions are used as a basis for defining similarity distances between pairs of model spectra. Model spectrum is taken as a sum of two Gaussian distributions characterized by different parameters. As a result, dissimilarity maps are presented.

Original languageEnglish (US)
Pages (from-to)1003-1013
Number of pages11
JournalJournal of Mathematical Chemistry
Volume42
Issue number4
DOIs
StatePublished - Nov 2007

Bibliographical note

Funding Information:
This work has been supported by Ministry of Education and Science, grant no 2 PO3B 033 25.

Keywords

  • Data mining
  • Genetic algorithms
  • Molecular similarity
  • Statistical theory of spectra

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