Active substances settings

Calculation settings

Table 180 Calculation settings for module Active substances.
Name	Type	Description
Filter by certain assessment group membership	Boolean	Filter substances by certain assessment group membership.
Filter by possible assessment group membership	Boolean	Filter substances by possible assessment group membership.
Restrict active substances to substances with available PODs	Boolean	Restrict assessment group membership based on presence/absence of points of departure.
Restrict active substances to substances with available hazard characterisations	Boolean	Restrict assessment group membership based on presence/absence of hazard characterisations.
Derive memberships from QSAR membership data	Boolean	Specifies whether QSAR membership data is used for computing the assessment group memberships.
Derive memberships from molecular docking data	Boolean	Specifies whether molecular docking data is used for computing the assessment group memberhips.
Include substances without membership information	Boolean	For non-probabilistic methods: specifies whether substances for which no membership information is available in the specified inputs should be included in the assessment group.
Combination method memberships from available PODs and in-silico data	CombinationMethodMembershipInfoAndPodPresence	Specifies whether to take the intersection or the union of the set of substances with available PoDs and the set of substances with positive/probable (in-silico) membership score.
Membership calculation method	AssessmentGroupMembershipCalculationMethod	Calculation method for computing assessment group memberships: majority/any (crisp methods), ratio/Bayesian (probabilistic methods)
Default/prior membership probability	Numeric	Default substance membership probability for which no membership information is available in the specified inputs. Prior probability for Bayesian method.
Use probabilistic assessment group memberships	Boolean	Specifies whether substance memberships should be expressed in terms of probabilities (probabilistic). Otherwise, substance memberships are expressed as in or out (crisp).

Uncertainty settings

Table 181 Uncertainty settings for module Active substances.
Name	Type	Description
Resample assessment group memberships	Boolean	Specifies whether assessment group memberships of substances should be resampled using the assessment group membership probabilities.