QSAR membership models data formats¶
Required data tables:
QSAR membership models, to identify QSAR models for a specified health effect
QSAR membership scores, to specify the memberships per substance per QSAR model
Note that only memberships 1 (include) and 0 (exclude) are allowed.
Substance membership models obtained from QSAR for a given (health) effect. The models are defined in the membership models table, and substance specific memberships are specified in the QSAR memberships table.
QSAR membership models¶
This table contains the definitions of the QSAR membership models. Each model contains a id, name, an optional description, and refers to its related health effect.
Table aliases: QSAR, QSARMembershipModels, QSARMembershipModel, QSARModels, QSARModel.
| Name | Type | Description | Aliases | Required |
|---|---|---|---|---|
id |
AlphaNumeric(50) |
The unique identification code of the QSAR membership model. |
id, Model, ModelCode, idModel, QSARModel, idQSARModel, QSARMembershipModel, idQSARMembershipModel, MembershipModel, idMembershipModel |
Yes |
Name |
AlphaNumeric(100) |
The name of the QSAR membership model. |
Name |
No |
Description |
AlphaNumeric(200) |
Description of the QSAR membership model. |
Description |
No |
idEffect |
AlphaNumeric(50) |
The effect code. |
idEffect, EffectId, Effect |
Yes |
Accuracy |
Numeric |
Accuracy of the QSAR membership model. |
Accuracy |
No |
Sensitivity |
Numeric |
Sensitivity of the QSAR membership model. |
Sensitivity |
No |
Specificity |
Numeric |
Specificity of the QSAR membership model. |
Specificity |
No |
Reference |
AlphaNumeric(200) |
External reference(s) to sources containing more information about the QSAR model. |
References |
No |
QSAR membership scores¶
Substance membership score according to the QSAR model.
Table aliases: QSARMembershipScores, QSARMembershipScore, QSARMemberships, QSARMembership.
| Name | Type | Description | Aliases | Required |
|---|---|---|---|---|
idQSARMembershipModel |
AlphaNumeric(50) |
The id of the QSAR model. |
Model, ModelCode, idModel, QSARModel, idQSARModel, QSARMembershipModel, idQSARMembershipModel, MembershipModel, idMembershipModel |
Yes |
idSubstance |
AlphaNumeric(50) |
The code of the substance. |
idSubstance, SubstanceId, SubstanceCode, Substance |
Yes |
MembershipScore |
Numeric |
QSAR membership score. Value should be 1 for positive membership, or 0 for negative membership. |
MembershipScore, Membership, QSARScore, Score |
Yes |