MOESM4 of Nonpher: computational method for design of hard-to-synthesize structures
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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
