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Supplementary Data for "Causal Relationship Between Potential Shift and Molecular Structure in Concentrated Electrolytes"

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Figshare2025-11-14 更新2026-04-08 收录
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https://figshare.com/articles/dataset/Supplementary_Data_for_Causal_Relationship_Between_Potential_Shift_and_Molecular_Structure_in_Concentrated_Electrolytes_/29483687/1
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<b>Related Publication</b>Data presented here correspond to the results reported in:<br><b>Yokoyama et al., J. Phys. Chem. B, 2025, DOI: </b><b>https://doi.org/10.1021/acs.jpcb.5c06002</b><b>Supplementary Data S1:</b><b>File name:</b> Supplementary_Data_S1_original_descriptors.xlsx<b>Description:</b> This file contains the original descriptor sets for samples #01–#75 (see Table 1 in the main text). Column headings correspond to the descriptor labels described in Section 2.1 of the main text.<br><b>Supplementary Data S2-S4:</b><b>File names</b>: Supplementary_Data_S2_n20.csv, Supplementary_Data_S3_n30.csv, Supplementary_Data_S4_n40.csv<b>Description:</b> These files contain the optimized descriptor sets for the n20, n30, and n40 models selected through GA combined with multiple regression optimization (see Table 2 and the Results and Discussion section of the main text). Column headings correspond to the descriptor labels defined in Section 2.1 of the main text.<b>High resolution figures:</b><b>File names</b>: Figure2{*}.png, Figure5{*}_{n20/n30/n40}/lingam_des_{*}.png<b>Description:</b> High resolution figures of Figure 2 and Figure 5 from main text (see the corresponding figure captions). <b>Code:</b><b>Filename: </b>code_LiNGAM/Lingam-script.ipynb<b>Description</b>: Causal analysis by LinGAM
提供机构:
Takenaka, Norio; Nakayama, Masanobu; YAMADA, Atsuo; Yokoyama, Yumika; Nakamura, Kou
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2025-11-13
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