Active substances settings¶
Calculation settings¶
| 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. |
Restrict active substances to substances with available PODs
|
Restrict assessment group membership based on presence/absence of points of departure. |
Restrict active substances to substances with available hazard characterisations
|
Restrict 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. |
Use probabilistic assessment group memberships
|
Specifies whether substance memberships should be expressed in terms of probabilities (probabilistic). Otherwise, substance memberships are expressed as in or out (crisp). |