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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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  1. Overview

Source Identifier

Depositors are assigned a unique numerical identifier known as a source ID (src_id), which will remain the same throughout their relationship with ChEMBL. In practice, multiple individuals within an organisation may be permitted to deposit data on behalf of a src_id. The management of multiple depositors for a single src_id is not dealt with by ChEMBL, but is the responsibility of the depositors.

All deposited data in ChEMBL must be associated with a source that has been registered in ChEMBL. Once such a source has been registered, depositors representing this source may submit data to the ChEMBL team who will load the data.

The very first step to depositing data in ChEMBL, therefore, is to contact the ChEMBL team who will discuss your data with you and decide whether a new src_id should be created for you to deposit your data against. All that is is required for a source identifier is a name and a short description.

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Last updated 2 years ago