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Fig. 5 | BMC Bioinformatics

Fig. 5

From: Predicting biological pathways of chemical compounds with a profile-inspired approach

Fig. 5

Example of calculating the score of a query compound (X) against a profile using iFragMent. Columns (fi) represent fragments, rows represent compounds: in blue (pi) those involved in pathway (P) and orange (bi) 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

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