OpenFEPOPS data directory containing the DUDE diversity set pre-generated descriptors, target CSVs and results files.
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https://figshare.com/articles/dataset/OpenFEPOPS_data_directory_containing_the_DUDE_diversity_set_pre-generated_descriptors_target_CSVs_and_results_files/23951445/3
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资源简介：
A zip archive containing the processed DUDE<sup>1</sup> diversity set and used in the benchmarking of OpenFEPOPS (https://github.com/JustinYKC/FEPOPS)[1] Mysinger MM, Carchia M, Irwin JJ, Shoichet BK <i>J. Med. Chem.</i>, 2012, Jul 5. doi 10.1021/jm300687e .
提供机构：
Shave, Steven
创建时间：
2023-09-05
