📥
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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  • Depositor-Defined ID.
  • Deposition Job.

Glossary

Depositor-Defined ID.

An identifier for a key entity.

*IDX

Description

Primary File

AIDX

Assay ID

ASSAY

CIDX

Compound ID

COMPOUND_RECORD

RIDX

Reference ID

REFERENCE

ACT_ID

ACTivity ID

ACTIVITY

TEOID

TEst Occasion ID

ACTIVITY

REGID

REcord Grouping ID

ACTIVITY_SUPP

SAMID

Supplementary Activity Mapping ID

ACTIVITY_SUPP

  • Such identifiers are always generated and maintained by the depositor themselves.

  • If the definition of the identifier in ChEMBL needs to be updated by the depositor, then the same identifier must be used in another deposition, and the original definition is then overwritten.

  • Identifiers must consist of a between 1 and 200 visible ascii characters. Non-visible characters such as spaces will be stripped from both ends.

Deposition Job.

  • A deposition job is defined as the collection of files loaded together in a single run of the loader.

  • The loading of a deposition job either completely succeeds to load, or it completely fails.

PreviousFAQs

Last updated 2 years ago