MOESM4 of Nonpher: computational method for design of hard-to-synthesize structures
收藏Figshare2017-03-21 更新2026-04-08 收录
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https://springernature.figshare.com/articles/dataset/MOESM4_of_Nonpher_computational_method_for_design_of_hard-to-synthesize_structures/4768756
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Additional file 4. SAscore training set. It contains SMILES of 54,750 structures considered to be hard-to-synthesize by the SAscore criterion (i.e., with SAscore higher than 6) and the same amount of easy-to-synthesize structures.
创建时间：
2017-03-21
