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Candidate compounds from the design of covalent Bruton's tyrosine kinase (BTK) inhibitors via focused deep generative modeling

<pre>A total of 1491 candidate inhibitors for covalent inhibition of BTK are deposited as SMILES strings together with 34 known covalent BTK inhibitors used to guide generative computational design. The study will be reported in a publication in Molecules under the authors' names.</pre>

ShareScore

40/100

Overall dataset sharing score

Score breakdown

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

Stewardship: 8
Harmonization: 4
Access: 20
Reuse readiness: 8
Engagement: 0

Topics

deep machine learning generative modeling kinase inhibitor design Bruton's tyrosine kinase','covalent inhibitors