Candidate compounds from the design of covalent Bruton's tyrosine kinase (BTK) inhibitors via focused deep generative modeling
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https://zenodo.org/record/5848494
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资源简介：
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.
创建时间：
2022-01-14
