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.

QSAR membership models

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.

Table 181 Table definition for QSARMembershipModels.
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.

Table 182 Table definition for QSARMembershipScores.
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