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The tree alignment requires us to align each state with at most one other state, but not two or more.
We stress that we optimized neither SIRIUS 3 nor the tree alignment method from [42] for this evaluation.
A local tree alignment contains those parts of the two trees where similar fragmentation cascades occurred.
They build on the dynamic-programming based pairwise global tree alignment algorithm proposed in [ 50].
We now present an ILP for computing a pairwise unordered tree alignment.
Currently available bioinformatic softwares for RNA tree comparison usually apply rooted ordered tree alignment[ 11, 12, 14, 15].
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Methods "SIRIUS 3" and "SIRIUS2-DP" compare trees via tree alignments [42].
To further process fragmentation trees, Rasche et al[221] introduced fragmentation tree alignments to cluster unknown compounds, to predict chemical similarity, and to find structurally similar compounds in a spectral library using FT-BLAST (FragmenTreeon Tree Basic Local Alignment Search Tool).
The general edit distance algorithm is a classic editing type algorithm for RNA comparison, whereas RNAforester represents the class of tree alignment-based algorithms, which can be due to their working principle much faster, but are less accurate than editing algorithms.
Here, even faster methods for computing fragmentation tree alignments are sought.
Rasche et al. (2012) introduced fragmentation tree alignments, and showed alignment scores to be correlated with chemical similarity.
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