Active substances settings

Calculation settings

Table 147 Calculation settings for module Active substances.
Name Description

Filter by certain assessment group membership

Filter substances by certain assessment group membership.

Filter by possible assessment group membership

Filter substances by possible assessment group membership.

Derive memberships from POD presence

Determine assessment group membership based on presence/absence of points of departure.

Restrict active substances to substances with available hazard characterisations

Determine assessment group membership based on presence/absence of hazard characterisations.

Derive memberships from QSAR membership data

Specifies whether QSAR membership data is used for computing the assessment group memberships.

Derive memberships from molecular docking data

Specifies whether molecular docking data is used for computing the assessment group memberhips.

Include substances without membership information

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

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

Calculation method for computing assessment group memberships: majority/any (crisp methods), ratio/Bayesian (probabilistic methods)

Default/prior membership probability

Default substance membership probability for which no membership information is available in the specified inputs. Prior probability for Bayesian method.

Uncertainty settings

Table 148 Uncertainty settings for module Active substances.
Name Description

Resample assessment group memberships

Specifies whether assessment group memberships of substances should be resampled using the assessment group membership probabilities.