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. 2021 Jun 12;22:320. doi: 10.1186/s12859-021-04252-y

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© The Author(s) 2021

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Fig. 5 — Example of calculating the score of a query compound (X) against a profile using iFragMent. Columns (f_i) represent fragments, rows represent compounds: in blue (p_i) those involved in pathway (P) and orange (b_i) those that are not (background). Presence/absence is coded with 1/0. Vector pv contains the probability of observing a fragment in the compounds of the pathway by chance, considering their distribution in the background. The score of X against P (Sc) is calculated as shown