MOESM3 of Can human experts predict solubility better than computers?

Additional file 3. The name, structure and solubility data in electronic form for both training and test sets, including SMILES representations of the chemical structures. This DLS-100 dataset may be reused freely with appropriate citation of our work, no further permission is required. It is also available from the University of St Andrews research portal [14] with https://doi.org/10.17630/3a3a5abc-8458-4924-8e6c-b804347605e8 and from figshare [15] with https://doi.org/10.6084/m9.figshare.5545639 .附加文件3。本文件包含训练集与测试集的名称、结构及溶解度电子数据，涵盖化学结构的SMILES表征形式。本DLS-100数据集可在恰当引用本研究的前提下自由复用，无需额外授权。该数据集亦可通过圣安德鲁斯大学（University of St Andrews）研究门户[14]获取，对应链接为https://doi.org/10.17630/3a3a5abc-8458-4924-8e6c-b804347605e8，同时可从figshare[15]获取，对应链接为https://doi.org/10.6084/m9.figshare.5545639。