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 Single value concentrations Occurrence patterns Occurrence frequencies Substance conversions Non-dietary exposures Dust exposures Absorption factors PBK models Kinetic conversion factors Relative potency factors Hazard characterisations Inter-species conversions Intra species factors Concentration models Food conversions High exposure food-substance combinations Dietary exposures Internal exposures Human monitoring analysis
Active substances as data
Inputs used: AOP networks Points of departure Hazard characterisations
Settings used
Calculation of active substances
Active substances and assessment group memberships may be computed from PoD presence of in-silico data.
Inputs used: Molecular docking models QSAR membership models
Settings used