https://doi.org/10.1140/epjb/e2006-00124-y
Statistical theory of spectra: statistical moments as descriptors in the theory of molecular similarity
1
Instytut Fizyki, Uniwersytet Mikołaja Kopernika, Grudziądzka 5, 87-100 Toruń, Poland
2
Centrum Astronomii, Uniwersytet Mikołaja Kopernika, Gagarina 11, 87-100 Toruń, Poland
3
Natural Resources Research Institute, 5013, Miller Trunk Highway, Minnesota, 55811-1442, USA
Corresponding author: a dsnake@phys.uni.torun.pl
Received:
30
September
2005
Revised:
27
November
2005
Published online:
12
April
2006
Statistical moments of the intensity distributions are used as molecular descriptors. They are used as a basis for defining similarity distances between two model spectra. Parameters which carry the information derived from the comparison of shapes of the spectra and are related to the number of properties taken into account, are defined.
PACS: 29.85.+c – Computer data analysis / 07.05.Kf – Data analysis: algorithms and implementation; data management / 33.20.-t – Molecular spectra / 33.70.-w – Intensities and shapes of molecular spectral lines and bands
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2006
