Skip to content

tkimhofer/BTSimilarity_FastDBSearch

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 

History

16 Commits
 
 
 
 
 
 

Repository files navigation

Fast spectral similarity clustering

This algorithm calculates the similarity between spectra based on binary trees. The latter are constructed using y-weighted x-values, e.g. using 1D NMR spectra (x: ppm, y: intensity) or chromatograms such as SIC's or TIC's from LC-MS (x: scan time, y: ion counts).

Provided functions for calculating and visualising i) individual binary trees and ii) hierarchical agglomerative clusterings.

Algorithm adopted from DOI: 10.1016/S0003-2670(00)80840-5 and 10.1186/1758-2946-6-9

About

Fast spectral similarity matching based on binary tree distances (Python implementation)

Resources

Stars

Watchers

Forks

Releases

No releases published

Packages

 
 
 

Contributors

Languages