Additional file 1 of MolData, a molecular benchmark for disease and target based machine learning
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https://springernature.figshare.com/articles/dataset/Additional_file_1_of_MolData_a_molecular_benchmark_for_disease_and_target_based_machine_learning/19320943/1
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资源简介：
Additional file 1. MolData Data. The main training dataset consisting of 1.4 million molecules with 600 label columns (all_molecular_data). Moreover, the mapping between the 600 datasets and their corresponding disease (aid_disease_mapping) and target (aid_target_mapping) categories.
提供机构：
Firouzbakht, Arash; Keshavarzi Arshadi, Arash; Salem, Milad; Yuan, Jiann Shiun
创建时间：
2022-03-08
