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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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  • Who Can Deposit Data in ChEMBL ?
  • Who are the main depositors ?
  • Why can't we accept V3000 molfiles?

FAQs

FAQs are listed below.

Who Can Deposit Data in ChEMBL ?

Deposition of bioactivity data to ChEMBL is largely by invitation. However, if you have data sets that you think will add value to ChEMBL, then please contact us by email: chembl-help@ebi.ac.uk

Who are the main depositors ?

The current list of ChEMBL sources can be found on the ChEMBL Interface Documentation.

Why can't we accept V3000 molfiles?

The InChI binaries we use currently do not accept V3000 molfiles, and so we cannot accept V3000 molfiles as we need an InChI Key for ChEMBL.

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Last updated 1 year ago