Arrow 1.The known metabolism graph

Arrow 2.The aggregated prediction of the Biological Activity Spectrum performed by PASS
Pa (probability "to be active") estimates the chance that the compound is belonging to the class of active compounds.
Pi (probability "to be inactive") estimates the chance that the compound is belonging to the class of inactive compounds.
Pa_max is maximum of Pa among all Pa values calculated for compound and its metabolites.
The web application uses a color scheme to display the prediction. Brown is used to color biological activity, if for this activity Pa_max>Pa. Gray is used to color biological activity, if this activity is not predicted for the parent compound (Pa > Pi), but it is predicted for its metabolite (Pa>Pi).

Arrow 3.To view selected structure

Arrow 4.To select metabolism graph

Arrow 5.Threshold

Arrow 6.Input activity name to view prediction (Pa value if Pa>threshold,Pa>Pi) on the metabolism graph

Arrow 7.The link to external resourse (compound description)

Arrow 8.Type of biological activity

AntitargetsGene Expression RegulationMechanisms of ActionMetabolism-Related ActionsPharmacological EffectsToxic and Adverse EffectsTransporters-Related ActionsAdverse Drug Effects

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