Additional file 2 of QSPR modeling of selectivity at infinite dilution of ionic liquids
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Additional file 2. Explored and unexplored combinations of cations and anions for the computational combinatorial library of ILs are given in the combinatorial_library.txt file, where rows describe cations, columns describe anions, ‘X’ means that the combination has already been explored in either training, optimization or test set and ‘O’ means that the combination has not been explored.
提供机构：
Carrera, Gonçalo V. S. M.; Klimenko, Kyrylo
创建时间：
2021-10-27
