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Add ChEMBL 33

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@mbackenkoehler mbackenkoehler released this 28 Jan 17:24
2169fdd
  • Update to ChEMBL 33
  • Removal of kinase.com as a data source
  • Updated Uniprot API calls
  • Both non-curated and curated CSVs are provided as well as a sample of the first 100 data points for testing
  • EGFR kinase bioactivities based on the curated CSV as well as a sample of the first 100 data points for testing

Datapoints in each dataset:

Dataset Non-curated Curated Sample EGFR Kinase EGFR Sample
ChEMBL 27 217 612 174 238 - - -
ChEMBL 28 237 336 186 972 - - -
ChEMBL 29 242 609 190 634 100 6 509 100
ChEMBL 30 252 191 197 073 100 6 733 100
ChEMBL 33 272 922 211 607 100 7 287 100