Dose response data data formats

The meta-data of dose response experiments (such as name, description, etc.) are specified in the DoseResponseExperiments table.

For presenting the data of these experiments to the system, there are two formats: a single table format (DoseResponseData) and a relational data format (three tables DoseResponseExperimentDoses, ExperimentalUnitProperties, DoseResponseExperimentMeasurements). Usually, the single table format will be the easier one. For internal use in MCRA, this single table data is converted to the relational data format.

Dose response data

Dose response data are used to extract assessment group membership or hazard doses . The meta-data of dose response experiments (such as name, description, etc.) are specified in the DoseResponseExperiments table. For presenting the data of these experiments to the system, there are two formats: a single table format (DoseResponseData) and a relational data format (three tables). Usually, the single table format will be the easier one. For internal use in MCRA, this single table data is converted to the relational data format.

Dose response experiments

General information about the dose response experiments, such as the (unique) identifier, name, description, the used test-system, and the dose unit is stored in the table DoseResponseExperiments. If the data of an experiment is provided in a single table format, then the fields Time, Covariates, Substances, and Responses are used to map the column header names of the columns of the single data table to these their respective types.

Table aliases: DoseResponseExperiments, DoseResponseExperiment.

Table 152 Table definition for DoseResponseExperiments.

Name	Type	Description	Aliases	Required
idExperiment	AlphaNumeric(50)	Unique identification code of the dose effect experiment.	idExperiment, Id, Code	Yes
Name	AlphaNumeric(100)	Name of the dose effect experiment.	Name	No
Description	AlphaNumeric(200)	Description of the dose effect experiment.	Description	No
Date	DateTime	The starting date of the experiment.	Date	No
Reference	AlphaNumeric(200)	External reference, for instance, to the experiment protocol and/or supporting material.	Reference	No
ExperimentalUnit	AlphaNumeric(100)	The name of the experimental unit of the experiment, e.g., rat, cage, litter, vial, cup, petridish.	ExperimentalUnit	No
DoseRoute	AlphaNumeric(100)	For in-vivo test systems, the route in which the dose was administered	DoseRoute	No
Substances	AlphaNumeric	Code or comma separated list of the codes of the substances measured in the experiment. E.g., ‘Cyproconazole, Thiram’. Required when presenting the dose-response data in a single table. Make sure that in table DoseResponseData the column headers exactly match these names.	idSubstance, SubstanceId, SubstanceCode, Substance, idSubstances, SubstanceIds, SubstanceCodes, Substances	Yes
DoseUnit	DoseUnits	Unit of the doses administered in this experiment.	DoseUnit	Yes
Responses	AlphaNumeric	Code or comma separated list of codes of the responses measured in the experiment. E.g., ‘AngleM_PQ, Mortality’. Required when presenting the dose-response data in a single table. Make sure that in table DoseResponseData the column headers exactly match these names.	Responses, Response, idResponses, idResponse	Yes
Time	AlphaNumeric(100)	Identifier of the time field of the experiment. Required when presenting the dose-response data in a single table and responses are measured at multiple times. Make sure that in the table DoseResponseData the column header of the time-column exactly matches this name.	Time, Times	No
TimeUnit	TimeUnit	Unit of the time scale used in the experiments.	TimeUnit	No
Covariates	AlphaNumeric(200)	Comma separated list of the names/codes of the covariates of the experiment. E.g. ‘Gender, Inhibitor, GroupingVariable’. Required when presenting the dose-response data in a single table and there are relevant covariates. Make sure that in table DoseResponseData the column headers exactly match these names.	Covariates, Covariate	No

Dose response data

Single (two-way) table data format for specifying data of dose response experiments (as alternative for the relational format). The column headers are dynamic and should be defined in the table DoseResponseExperiments through fields Substances and Responses (and, optionally, Covariates and Time). For responses given as aggregated statistics, also SD, CV, N and Uncertainty are specified as [Datatype:Response]. E.g., ‘SD:Y’, ‘CV:Y’, ‘N:Y’. Uncertainty upper 95%limits are specified as ‘UncertaintyUpper:Y’. For each quantal response an additional column ‘N:[responsename]’is required with binomial totals (e.g. Mortality = 3, N:Mortality = 10).

Table aliases: TwoWayDoseResponseData, DoseResponseDataTwoWay, DoseResponseData.

Table 153 Table definition for DoseResponseData.

Name	Type	Description	Aliases	Required
idExperiment	AlphaNumeric(50)	Unique identification code of the dose effect experiment.	idExperiment, Experiment, Code	No
Experimental unit	AlphaNumeric(50)	Experimental unit numbers or identifiers. The column name of the experimental unit should be as specified in the dose response experiment record.	ExperimentalUnit, ExperimentalUnits, Experimental unit	No
Substance(s)	AlphaNumeric(100)	One or more columns with doses for each substance, in the unit as specified in the dose response experiment table. The column name(s) should match the substance codes listed in the comma-separated list of the substances field of the dose response experiment record.		Yes
Response(s)	AlphaNumeric(100)	One or more columns with results for each response, in the unit(s) as specified in the dose response experiment table. The column name(s) should match the response codes listed in the comma-separated list of the responses field of the dose response experiment record.		Yes
Time	Numeric	The column containing the observed response times. The column name (header) should match that of the Time column in the dose response experiment record.		No
Covariate(s)	AlphaNumeric(100)	The column(s) containing additional properties of the experimental unit. The column name (header) should match the codes of the comma-separated covariates list in the dose response experiment record.		No

Relational dose response data

In the relational data format, dose response experiment data are specified using the triplet of tables: DoseResponseExperimentDoses, DoseResponseExperimentMeasurements, and ExperimentalUnitProperties. These tables describe, respectively, the experiment designs (including the administered substance doses), the response measurements, and additional properties of the experimental units of the experiment.

Dose response experiment doses

The table DoseResponseExperimentDoses describes the experiment design, being a complete specification of which doses of which substances were applied to which experimental unit and if relevant at what time.

Table aliases: DoseResponseExperimentDoses, DoseResponseExperimentDose.

Table 154 Table definition for DoseResponseExperimentDoses.

Name	Type	Description	Aliases	Required
idExperiment	AlphaNumeric(50)	Identification code of the experiment to which this design record belongs.	idExperiment, Experiment	Yes
idExperimentalUnit	AlphaNumeric(50)	Identification code of the experimental unit to which the dose is applied.	idExperimentalUnit, ExperimentalUnit	Yes
Time	Numeric	The time of administration of the dose.	Time	No
idSubstance	AlphaNumeric(50)	Code of the substance that was administered.	idSubstance, SubstanceId, SubstanceCode, Substance	Yes
Dose	Numeric	The dose that was administered.	Dose	Yes

Experimental unit properties

The table ExperimentalUnitProperties are used to specify additional properties of the experimental units of the experiment. For instance, the gender of the rat, in case rats are the experimental units.

Table aliases: ExperimentalUnitProperties, ExperimentalUnitProperty.

Table 155 Table definition for ExperimentalUnitProperties.

Name	Type	Description	Aliases	Required
idExperiment	AlphaNumeric(50)	Identification code of the experiment.	idExperiment, Experiment	Yes
idExperimentalUnit	AlphaNumeric(50)	Identification code of the experimental unit.	idExperimentalUnit, ExperimentalUnit	Yes
PropertyName	AlphaNumeric(50)	Name of the experimental unit property.	Property, Name	Yes
Value	AlphaNumeric(100)	Value of the experimental unit property.	PropertyValue	No
OtherProperty		Other properties of experimental units are automatically parsed, using the column name (header) as property name.		No

Dose response experiment measurements

The table DoseResponseMeasurements describes the measurements that were done in the experiments. That is, for each response and experimental unit, at each observation time, one measurement should be recorded. If the response is an aggregated statistic, then this record may also include a standard deviation and number of units over which was aggregated.

Table aliases: DoseResponseExperimentMeasurements, DoseResponseExperimentMeasurement, DoseResponseMeasurements, DoseResponseMeasurement.

Table 156 Table definition for DoseResponseExperimentMeasurements.

Name	Type	Description	Aliases	Required
idExperiment	AlphaNumeric(50)	Identification code of the experiment to which this measurement belongs.	idExperiment, Experiment	Yes
idExperimentalUnit	AlphaNumeric(50)	Identification code of the experimental unit from which the measurement is taken.	idExperimentalUnit, ExperimentalUnit	Yes
idResponse	AlphaNumeric(50)	Identifier of the response that is measured.	idResponse, Response	Yes
Time	Numeric	Time of observation.	Time	No
ResponseValue	Numeric	The measured response.	ResponseValue, Value	Yes
SD:Response	Numeric	For aggregated responses, the standard deviation of the measurement.	SD:Response, ResponseSD	No
CV:Response	Numeric	For aggregated responses, the coefficient of variation (cv) of the measurement.	CV:Response, ResponseCV	No
N:Response	Numeric	For aggregated responses, the number of units over which was aggregated.	N:Response, ResponseN	No
UncertaintyUpper:Response	Numeric	Optionally, measurement uncertainty quantification in terms of the upper value (i.e., an estimate of 95th percentile).	UncertaintyUpper:Response, ResponseUncertaintyUpper, UncertaintyUpper, Upper	No