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A Set of 72 Kinase Inhibitors

<p>A set of 72 known kinase inhibitors was assembled from ChEMBL release 18. For each inhibitor, MACCS and ECFP4 representations are provided. Both fingerprints were calculated using an in-house implementation based upon OpenEye&#39;s OEChem toolkit. For MACCS, we used SMARTS patterns adapted from RDKit.</p>

ShareScore

36/100

Overall dataset sharing score

Score breakdown

These five areas show where the dataset supports — or may limit — practical reuse.

Stewardship
4
Harmonization
4
Access
20
Reuse readiness
8
Engagement
0

Dataset details

Repository
zenodo
Published
May 1, 2014
License
cc-zero
DOI
10.5281/zenodo.9223

Scored with release 0.9.0

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