Additional file 3 of Decomposing compounds enables reconstruction of interaction fingerprints for structure-based drug screening
收藏Figshare2022-03-16 更新2026-04-08 收录
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https://springernature.figshare.com/articles/dataset/Additional_file_3_of_Decomposing_compounds_enables_reconstruction_of_interaction_fingerprints_for_structure-based_drug_screening/19367275/1
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资源简介：
Additional file 3. ChEMBL data set with reconstructed fingerprints: The file shows for each compound-target complex in our ChEMBL dataset: the compound’s InChiKey, the target’s UniProt ID, and the reconstructed fingerprint.
提供机构：
Adasme, Melissa F.; Al-Fatlawi, Ali; Bolz, Sarah Naomi; Schroeder, Michael
创建时间：
2022-03-16
