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Supplementary Materials (Research data) for LCMs article

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Raw data, processed data, and significant notes for an article. Table S1. Molecular structures and smiles identifications of 1431 LCMs, together with all their 15 indicators (raw data); Table S2. Processed data of all 15 indicators; Table S3. Diferencial weights of all 15 indicators; Table S4. Calculation process and results of the R1-level indicator; Table S5. Raw data of 210 molecular descriptors of 1431 LCMs; Table S6. Raw data of the selected 38 molecular descriptors of 1431 LCMs; Table S7. Descriptions of the selected 38 molecular descriptors; Table S8. Processed data of the selected 38 molecular descriptors of 1431 LCMs; Table S9. Toxicological classification of 1431 LCMs
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2025-07-07
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