Field names and data types - more complex data types

These file types are not mandatory and are omitted from the simple test set.

PLEASE NOTE: For ease of viewing the column headers have been formatted as rows. When submitting data to ChEMBL the formatting should be rotated by 90 degrees so that the fields are column headers and each row below is a data entry point.

ACTIVITY_SUPP.tsv

The ACTIVITY_SUPP file contains supplementary data on the ACTIVITY file, for example raw results and other supporting information.

• A VALUE is numeric and requires an entry in the RELATION field. A TEXT_VALUE requires that RELATION is empty.

• REGID groups by a group, SAMID groups by sample. You can map many ACT_IDS to one sample in the ACT_SUPP_MAP table.

• It is not necessary to supply, for example, all the points on a curve.

• It can be used for datasets such as in vivo studies where animal-level data is submitted.

Header	Description	Existence	Data Type
TYPE	The type of supplementary measurement	Mandatory	Any character up to a length of 250
RELATION	Symbol indicating relationship between the Type and the Value (permitted: '>','<','=','~','<=','>=','<<','>>')	Optional (Mandatory if a VALUE is given)	Any relation symbol (=, >, <, ~, <=, >=, >>, <<) character up to a length of 50
VALUE	The numerical value of the supplementary measurement	Optional	Any number (including decimals, negatives and scientific notation (e.g. 3×10^2))
UNITS	The units of the supplementary measurement	Optional	Any character up to a length of 100
TEXT_VALUE	The text value of non-numerical values	Optional	Any character up to a length of 1000
COMMENTS	A comment on the record.	Optional	Any character up to a length of 4000
REGID	Record Grouping Identifier. Groups together records in ACTIVITY_SUPP file. Can used to group, for example, all measurements from a single animal in a study. Analogous to TOID in the Activities table.	Mandatory	Any integer up to a length of 11
SAMID	Supplementary Activity Mapping ID (SAMID). Usually referring to a single specific measurement, not a group, animal or well. Depositor defined	Mandatory	Any integer up to a length of 11

ACTIVITY_SUPP_MAP.tsv

The ACTIVITY_SUPP_MAP file maps activity IDs in the ACTIVITY file to sample IDs in the ACTIVITY_SUPP file. Both fields are mandatory when this table is included.

• You can assign multiple ACT_IDs to one SAMID, e.g. multiple results from a single animal (or multiple results from one multiplex plate).

Header	Description	Existence	Data Type
ACT_ID	The ACT_ID established by the depositor in the ACTIVITY file - a foreign key	Mandatory	Any integer up to a length of 11
SAMID	The SAMID established by the depositor in the ACTIVITY_SUPP file - a foreign key	Mandatory	Any integer up to a length of 11