Statistical theory of spectra: Statistical moments as descriptors in the theory of molecular similarity

Details Statistical theory of spectra: Statistical moments as descriptors in the theory of molecular similarity Statistical theory of spectra: Statistical moments as descriptors in the theory of molecular similarity

2005-09-29

arxiv.org/abs/physics/0509251v1

Physics

Data Analysis, Statistics and Probability

Poster presented at the 3rd NEXT-Sigma-Phi Conference, Crete, Aug.2005, revtex, 13 pages including 6 figures

Scientific paper

10.1140/epjb/e2006-00124-y

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.

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