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. 2020 Nov 27;8:562677. doi: 10.3389/fbioe.2020.562677

FIGURE 1.

FIGURE 1

Overall workflow for the model development: (1) 6000 treatments were stratified split into the training (80%) and independent validation (20%) datasets. (2) A 100-iteration Monte Carlo cross-validation (MCCV) was carried out for hyperparameter optimization of the four algorithms, including Deep Neural Network: DNN; K-nearest neighbors: KNN); Support Vector Machine: SVM and Random Forest: (RF). (3) The optimized models were used to predict the independent validation sets. (4) the DNN model was further evaluated by using a “Y-Scrambling”-based permutation test.