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.
Bibliographical noteFunding Information:
This work has been supported by Ministry of Education and Science, grant no 2 PO3B 033 25.
- Data mining
- Genetic algorithms
- Molecular similarity
- Statistical theory of spectra