MOESM4 of High-quality and universal empirical atomic charges for chemoinformatics applications
收藏Figshare2017-02-21 更新2026-04-08 收录
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https://springernature.figshare.com/articles/dataset/MOESM4_of_High-quality_and_universal_empirical_atomic_charges_for_chemoinformatics_applications/4675021
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资源简介：
Additional file 4: Table S2b. A list of molecules from the extended test set including their DrugBank IDs and summary formulas.
提供机构：
Tomáš Raček; Aleš Křenek; Tomáš Bouchal
创建时间：
2017-02-21
