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Beilstein J. Nanotechnol. 2024, 15, 297–309, doi:10.3762/bjnano.15.27
Figure 1: Workflow for developing QSPR (model 1) and QSAR (model 2) models.
Figure 2: Bubble plot for dataset 1 (model 1) and dataset 2 (model 2).
Figure 3: Williams plot for cell damage endpoint (model 2).
Figure 4: Zeta potential formation and influence phenomenon in respect to the modeled descriptors.
Figure 5: Interpretation of descriptors with respect to cell damage (endpoint) in cancer cells.
Beilstein J. Nanotechnol. 2023, 14, 939–950, doi:10.3762/bjnano.14.77
Figure 1: Flowchart of the present work.
Figure 2: Workflow of the ML algorithm.
Figure 3: Williams plot.
Figure 4: SHAP summary plot.
Figure 5: Cross-validation statistics based on 20 times fivefold repetitive CV and 1000 times shuffle split C...
Figure 6: General mechanism of toxicity to HK-2 cell by heavy metals.