Basic Deposition and Overview

Loading data to ChEMBL is by invitation only. However, if you believe you have high quality bioactivity data that others would benefit from viewing in ChEMBL, then please contact us.
Below we provide a basic introduction to how BioActivity data should be formatted in order to be loaded into ChEMBL. Many aspects of this are best explained by reference to examples (see 'Examples' above).
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 (and a src_id [a number] assigned), then 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.
Deposition Overview
You can see a flowchart explaining the deposition process below. 
Sources
All that is is required for a Source is a name and a short description. 
Jobs
The loading of a collection of files for a single deposition is called a job and given a 'job_id' if loading is successful.
The job_id associated with a DDI in ChEMBL is always the job_id when the DDI was first defined. 
Updating the definition of a DDI by including the DDI n a subsequent deposition job will not change the job_id associated with this DDI.
Updating existing ChEMBL data using DDIs
For example, a depositor uses a CIDX of, say, 'XYZ_123' to define a particular chemical structure, but after loading to ChEMBL they subsequently discover that their structure is incorrect.
They can 'edit' the deposited structure by re-depositing XYZ_123 with the new correct structure. A depositor can only edit data relating to their own identifiers. Thus, in the example above, if another depositor from a different src_id owns a CIDX of 'XYZ_123', then this will remain unaltered by the edits undertaken by the first depositor.
The field names of DDIs are always four letters, with the last three as 'IDX'. The 'X' is intended to indicate that the Identifier is an eXternal identifier, not an identifier internal to ChEMBL.
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Introduction to the ChEMBL Loader Gateway

Creating Load Files

Last modified 20d ago

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