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.
Download empty dataset template:
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 |