Similarity studies using statistical and genetical methods

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

doi:10.1007/s10910-006-9155-0

Similarity studies using statistical and genetical methods

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

Research output: Contribution to journal › Article › peer-review

17 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 language	English (US)
Pages (from-to)	1003-1013
Number of pages	11
Journal	Journal of Mathematical Chemistry
Volume	42
Issue number	4
DOIs	https://doi.org/10.1007/s10910-006-9155-0
State	Published - Nov 2007
Externally published	Yes

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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10.1007/s10910-006-9155-0

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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.",

keywords = "Data mining, Genetic algorithms, Molecular similarity, Statistical theory of spectra",

author = "Dorota Bieli{\'n}ska-W{\c a}{\.z} and Piotr W{\c a}{\.z} and Basak, {Subhash C.}",

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

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AU - Wąż, Piotr

AU - Basak, Subhash C.

N1 - Funding Information: This work has been supported by Ministry of Education and Science, grant no 2 PO3B 033 25.

PY - 2007/11

Y1 - 2007/11

N2 - 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.

AB - 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.

KW - Data mining

KW - Genetic algorithms

KW - Molecular similarity

KW - Statistical theory of spectra

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ER -

Similarity studies using statistical and genetical methods

Abstract

Bibliographical note

Keywords

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