Chromatograms presented the specificity of the proposed method. by Ewa Paszkowska (21246702)

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Demographic characteristics of the participants. by Ji Woong Chang (1829314)

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The mevalonate pathway (cholesterol biosynthesis): the place of action of statins, and their main effects. by Ewa Paszkowska (21246702)

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The RSD results were obtained for different proportions of the extraction solvent/tissue (each proportion was prepared in triplicate repetition, n = 3). by Ewa Paszkowska (21246702)

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Data file. by Ji Woong Chang (1829314)

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The influence of the controlled pH conditions at the sample preparation step on the obtained signals (panel A: extraction using a mixture of MeOH and EtOH; panel B: extraction usin... by Ewa Paszkowska (21246702)

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Chromatograms proved the selectivity of the proposed method. Red line: tissue spiked at the LOQ level; green line: blank tissue. Panel A: SIM and SIMA; panel B: LOV and LOVA. by Ewa Paszkowska (21246702)

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Synthetic feasibility scores of 20 molecular fragments. by Bin Pan (742525)

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The scatter plot of the target variable solubility dataset. by Bin Pan (742525)

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Samples with the highest solubility after high-throughput screening. by Bin Pan (742525)

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Assessment values of machine learning models. by Bin Pan (742525)

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List of datasets in AqSolDB. by Bin Pan (742525)

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Schematic workflow diagram of the StackBoost model framework. by Bin Pan (742525)

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Comparison of training and predicted values of compound water solubility for different machine learning models: (A) AdaBoost, (B) GBDT, (C) LGBM, (D) RF, (E) XGBoost, (F) RF, and (... by Bin Pan (742525)

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Pearson correlation analysis between pairs of feature parameters. by Bin Pan (742525)

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Comparison of actual vs predicted values after transfer. by Bin Pan (742525)

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List of available information in each column of AqSolDB. by Bin Pan (742525)

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3D Scatter plot of features related to water-soluble materials. by Bin Pan (742525)

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Workflow diagram of the prediction algorithm framework. by Bin Pan (742525)

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Feature importance derived from SHAP analysis. by Bin Pan (742525)

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