Efficiently Predicting Hot Spots in PPIs by Combining Random Forest and Synthetic Minority Over-Sampling Technique
Xiaolong Zhang, Xiaoli Lin, Jiafu Zhao, Qianqian Huang, Xin Xu · IEEE Transactions on Computational Biology and Bioinformatics · 2018
Hot spot residues bring into play the vital function in bioinformatics to find new medications such as drug design. However, current datasets are predominately composed of non-hot spots with merely a tiny percentage of hot spots. Conventional hot spots prediction methods may face great challenges towards the problem of imbalance training samples. This paper presents a classification method combining with random forest classification and oversampling strategy to improve the training performance. A strategy with an oversampling ability is used to generate hot spots data to balance the given training set. Random forest classification is then invoked to generate a set of forest trees for this oversampled training set. The final prediction performance can be computed recursively after the oversampling and training process. This proposed method is capable of randomly selecting features and constructing a robust random forest to avoid overfitting the training set. Experimental results from three data sets indicate that the performance of hot spots prediction has been significantly improved compared with existing classification methods.