MOESM5 of Nonpher: computational method for design of hard-to-synthesize structures
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https://springernature.figshare.com/articles/dataset/MOESM5_of_Nonpher_computational_method_for_design_of_hard-to-synthesize_structures/4768771/1
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资源简介：
Additional file 5. DR training set. It contains SMILES of 50,345 hard-to-synthesize structures (i.e., they are from a sparse region) and of 113,176 easy-to-synthesize structures (i.e., they are from a dense region).
提供机构：
Figshare
创建时间：
2017-12-18
