T1: Fetch data by ChEMBL version?

[dominiquesydow]

Whenever a new ChEMBL version is released, the compound/bioactivity dataset fetched in T1 will change and affect all downstream notebooks.

When doing our packaging/refactoring of all notebooks, it would be great to find out how to fetch data by ChEMBL version (e.g. frozen to the ChEMBL version/dataset shown in our TeachOpenCADD publication).

Get help:

• Extract ChEMBL version associated per compound chembl/chembl_webresource_client#55
  • Contacted
  • Answer: TBA
• https://www.ebi.ac.uk/support/
  • Contacted (20200507)
  • Answer: "At the moment, it’s not possible to extract data from web services (or the
    interface) for a previous ChEMBL release but we hope to work on this in the
    future."

[dominiquesydow]

We decided to filter our bioactivity data by bioactivity IDs from ChEMBL 27 to freeze the dataset to the ChEMBL 27 release.

See PR for more details on the discussion #8.