Add ChEMBL 33

• 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

Add CHEMBL 30

• Update to ChEMBL 30
• 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

Add CHEMBL 29

• Update to ChEMBL 29
• 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

Add ChEMBL 28 and curation pipeline

• Fixed UniProt queries for the human kinome
• Add support for ChEMBL 28
• Add curation pipeline. Both non-curated and curated CSVs are provided

Datapoints in each dataset:

Dataset	Non-curated	Curated
ChEMBL 27	182 223	148 836
ChEMBL 28	199 238	159 978

The *sample100* file is a subset of 100 datapoints for testing purposes.

Initial release

I will start cutting releases for datascripts so we can easily guarantee data provenance in other projects.

This adds data for ChEMBL27, hereby attached.