Reference: Du, Z., Wang, D., & Li, Y. (2022). Comprehensive Evaluation and Comparison of Machine Learning Methods in QSAR Modeling of Antioxidant Tripeptides. ACS omega, 7(29), 25760-25771.
Benchmark file: Table S1: 553 original amino acid indices from AA Index:https://www.genome.jp/aaindex/ Table S2: Pearson correlation of 553 original amino acid indices Table S3: Performance of 14 models in 20 times random data set splitting with leave-one-out cross validation and leave-one-group-our cross validation (FI-RFR-XGboost) Table S4: predicted antioxidant activity of the unknown tripeptides Figure S1: Heatmap of Pearson correlation analysis in Table S2