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Supplementary Material 1.

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Figshare2023-05-10 更新2026-04-28 收录
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Influence of quantity of splits, k, upon properties including: ¤ Dataset fold size (i.e., average number of substances within). ¤ Apparent predictivity of models trained upon TH_90 data subset, expressed in terms of R2CV (average of R2 values acquired from individual folds during their hold-out), R2min and R2max (respective minimum and maximum in fold-wise R2). *Denotes parent dataset (prior to splitting) (XLSX)
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