A copy of this work was available on the public web and has been preserved in the Wayback Machine. The capture dates from 2017; you can also visit the original URL.
The file type is
Lecture Notes in Computer Science
Fragmentation trees are a technique for identifying molecular formulas and deriving some chemical properties of metabolitessmall organic moleculessolely from mass spectral data. Computing these trees involves nding exact solutions to the NP-hard Maximum Colorful Subtree problem. Existing solvers struggle to solve the large instances involved fast enough to keep up with instrument throughput, and their performance remains a hindrance to adoption in practice. We attack this problem on two fronts:doi:10.1007/978-3-319-21398-9_25 fatcat:j3yyby7tsfa5bip6p5gykcedwu