Author: Marcus Ludwig; Louis-Félix Nothias; Kai Dührkop; Irina Koester; Markus Fleischauer; Martin A. Hoffmann; Daniel Petras; Fernando Vargas; Mustafa Morsy; Lihini Aluwihare; Pieter C. Dorrestein; Sebastian Böcker
Title: ZODIAC: database-independent molecular formula annotation using Gibbs sampling reveals unknown small molecules Document date: 2019_11_16
ID: 03uonbrv_63
Snippet: We now give a graph-theoretical formulation of the problem; this will allow us to establish its computational complexity, but also to come up with a more ecient algorithm. Let V , the molecular formula candidates, be the nodes of an undirected graph G = (V, E) with edge set E ⊆ V 2 . We will write uv as shorthand for a tuple {u, v} ∈ V 2 . We use c : V → C as a node coloring with color set C. Now, an assignment is a subset A ⊆ V such that.....
Document: We now give a graph-theoretical formulation of the problem; this will allow us to establish its computational complexity, but also to come up with a more ecient algorithm. Let V , the molecular formula candidates, be the nodes of an undirected graph G = (V, E) with edge set E ⊆ V 2 . We will write uv as shorthand for a tuple {u, v} ∈ V 2 . We use c : V → C as a node coloring with color set C. Now, an assignment is a subset A ⊆ V such that each color from C appears exactly once; in this case, A is also called multicolored. Using the notation of the previous section, we have A = a(C);
Search related documents:
Co phrase search for related documents, hyperlinks ordered by date