Active substances

Active substances are the substances that may lead with non-zero probability (P (AG)>0) to a specific health effect (adverse outcome). In the simplest case, all substances in the scope of the action will form one assessment group (AG) of active substances. In more advanced cases, the list of active substances is derived from possibly multiple assessment group memberships, which are scores for substances that determine whether a substance is included (score > 0) or excluded (score = 0) in the set of active substances. Substances with membership 0 are excluded from the list of active substances. Memberships scores between 0 and 1 are treated as probabilities of being in the set of active substances. Assessment group memberships can be either specified directly as data or derived from QSAR membership models, molecular docking models, or from availability of points of departure.

This module has as primary entities: Effects Substances

Output of this module is used by: Concentrations Occurrence patterns Substance conversions Non-dietary exposures Kinetic models Food conversions Dietary exposures with screening Dietary exposures Exposures Hazard characterisations

Active substances as data

When provided as data, in the form of assessment group memberships, the active substances are derived from the specified memberships.

• Active substances data formats

Inputs used: AOP networks Points of departure

Calculation of active substances

Active substances and assessment group memberships may be computed from PoD presence of in-silico data.

• Active substances calculation

Inputs used: Molecular docking models QSAR membership models

Settings used

• Calculation Settings

Settings and Tiers

• Active substances settings
  • Uncertainty settings