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ChEMBL Data Deposition Guide
  • Introduction
  • Overview
    • Source Identifier
    • Depositor-Defined Identifiers
      • AIDX
      • RIDX
      • CIDX
    • File types and names
  • File structure
    • File hierarchy
    • Simplified input data schema
    • Deposition file list
    • Field names and data types - basic submission
      • The CONTACT field
      • ACTION_TYPE valid names
      • TARGET_TYPE list
      • Adding context using the ACTIVITY_PROPERTIES file
    • The ASSAY_DESCRIPTION field
  • Complex results sets
    • Linking files through depositor defined IDs
    • Linking multiple result types using TEOID
    • Supplementary data in the ACTIVITY_SUPP file
    • Flexible SAMID mapping
    • Field names and data types - more complex data types
  • Example dataset
  • Common data issues
  • Advanced features and documentation
  • Depositing activities against other depositors entities
  • Creating a COMPOUND_CTAB file from a file containing SMILES strings
  • FAQs
  • Glossary
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Depositing activities against other depositors entities

Loading against other depositor’s entities.

Depositors may load ACTIVITY data against the Depositor–defined IDs managed by other depositors. To permit this, ACTIVITY deposition files make use of headers which flag this information to the loader. Typically, these headers have the form SRC_ID_AIDX/CIDX, and contain the src_id (integer) corresponding to the depositor who owns the DDI referred to in the same record.

A depositor can only define and redefine their own depositor defined IDs (DDI), and a depositor can only use another source’s DDI if it is already defined in ChEMBL. Although allowing the use of DDIs from other depositors creates great flexibility in the data model, depositors should be made very aware of the potential dangers of doing this, since a DDI used in this way cannot be edited by them, and indeed may be edited by the owner at any time, without notifying anyone. Depositing against other depositors DDIs should therefore ONLY be done in cases where the depositor is very confident in the ability of the other depositor to maintain their DDIs correctly.

Key points:

  • Depositors should only use other depositors references if they are very confident that the initial depositor has the capacity to maintain the identifiers correctly.

  • They must accept that the initial depositor may update the definitions of these identifiers at any time without informing anyone else who may have deposited activity against these identifiers.

  • In order to use AIDXs and CIDXs owned by other depositors, these IDs must already have been deposited within ChEMBL by their respective owners.

  • Also, when citing these AIDXs and CIDXs in the ACTIVITY file, the depositor must add an extra column to the file, giving the src_id of the owner of these IDs.

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Last updated 2 years ago