“… is displayed as (1),…, ( ). The coefficients obtained in the matrix have formed a sparse rotation matrix called , which is shown below: Figure 3 Rotation forest 51 . …”
Drug–target interaction prediction is a vital stage in drug development, involving lots of methods. Experimental methods that identify these relationships on the basis of clinical remedies are time-taking, costly, laborious, and complex introducing a lot of challenges. One group of new methods is called computational methods. The development of new computational methods which are more accurate can be preferable to experimental methods, in terms of total cost and time. In this paper, a new computational model to predict drug–target interaction (DTI), consisting of three phases, including feature extraction, feature selection, and classification is proposed. In feature extraction phase, different features such as EAAC, PSSM and etc. would be extracted from sequence of proteins and fingerprint features from drugs. These extracted features would then be combined. In the next step, one of the wrapper feature selection methods named IWSSR, due to the large amount of extracted data, is applied. The selected features are then given to rotation forest classification, to have a more efficient prediction. Actually, the innovation of our work is that we extract different features; and then select features by the use of IWSSR. The accuracy of the rotation forest classifier based on tenfold on the golden standard datasets (enzyme, ion channels, G-protein-coupled receptors, nuclear receptors) is as follows: 98.12, 98.07, 96.82, and 95.64. The results of experiments indicate that the proposed model has an acceptable rate in DTI prediction and is compatible with the proposed methods in other papers.
“… is displayed as (1),…, ( ). The coefficients obtained in the matrix have formed a sparse rotation matrix called , which is shown below: Figure 3 Rotation forest 51 . …”
Drug–target interaction prediction is a vital stage in drug development, involving lots of methods. Experimental methods that identify these relationships on the basis of clinical remedies are time-taking, costly, laborious, and complex introducing a lot of challenges. One group of new methods is called computational methods. The development of new computational methods which are more accurate can be preferable to experimental methods, in terms of total cost and time. In this paper, a new computational model to predict drug–target interaction (DTI), consisting of three phases, including feature extraction, feature selection, and classification is proposed. In feature extraction phase, different features such as EAAC, PSSM and etc. would be extracted from sequence of proteins and fingerprint features from drugs. These extracted features would then be combined. In the next step, one of the wrapper feature selection methods named IWSSR, due to the large amount of extracted data, is applied. The selected features are then given to rotation forest classification, to have a more efficient prediction. Actually, the innovation of our work is that we extract different features; and then select features by the use of IWSSR. The accuracy of the rotation forest classifier based on tenfold on the golden standard datasets (enzyme, ion channels, G-protein-coupled receptors, nuclear receptors) is as follows: 98.12, 98.07, 96.82, and 95.64. The results of experiments indicate that the proposed model has an acceptable rate in DTI prediction and is compatible with the proposed methods in other papers.
“…Therefore, every weak learner is focused on the hard-to-predict samples obtained by previous experiments. Finally, combined results are treated as the final performances by weighted majority vote/sum. − As a comparison, four efficient algorithms were used to construct models, including RF, − SVM, − k -Nearest Neighbor (KNN), and Naïve Bayes (NB)…”
Lysine glutarylation is a newly reported posttranslational modification (PTM) that plays significant roles in regulating metabolic and mitochondrial processes. Accurate identification of protein glutarylation is the primary task to better investigate molecular functions and various applications. Due to the common disadvantages of the time-consuming and expensive nature of traditional biological sequencing techniques as well as the explosive growth of protein data, building precise computational models to rapidly diagnose glutarylation is a popular and feasible solution. In this work, we proposed a novel AdaBoost-based predictor called iGlu_AdaBoost to distinguish glutarylation and non-glutarylation sequences. Here, the top 37 features were chosen from a total of 1768 combined features using Chi2 following incremental feature selection (IFS) to build the model, including 188D, the composition of k-spaced amino acid pairs (CKSAAP), and enhanced amino acid composition (EAAC). With the help of the hybrid-sampling method SMOTE-Tomek, the AdaBoost algorithm was performed with satisfactory recall, specificity, and AUC values of 87.48%, 72.49%, and 0.89 over 10-fold cross validation as well as 72.73%, 71.92%, and 0.63 over independent test, respectively. Further feature analysis inferred that positively charged amino acids RK play critical roles in glutarylation recognition. Our model presented the well generalization ability and consistency of the prediction results of positive and negative samples, which is comparable to four published tools. The proposed predictor is an efficient tool to find potential glutarylation sites and provides helpful suggestions for further research on glutarylation mechanisms and concerned disease treatments.
“…Random Forest (RF) is an integrated learning method first proposed by Leo Breiman and Adele Cutler (Azuaje et al, 2006;Goldstein et al, 2011;Cheng et al, 2018b,d), and it is a combination of multiple decision trees. Nowadays, many bioinformatics' problems use Random Forest (Tastan et al, 2012;Jamshid et al, 2018;Lyu et al, 2019;Ru et al, 2019;Lv et al, 2020). For processing large amounts of data, Random Forest is characterized by high accuracy, high speed and good robustness.…”
Tobacco mosaic virus, TMV for short, is widely distributed in the global tobacco industry and has a significant impact on tobacco production. It can reduce the amount of tobacco grown by 50-70%. In this research of study, we aimed to identify tobacco mosaic virus proteins and healthy tobacco leaf proteins by using machine learning approaches. The experiment's results showed that the support vector machine algorithm achieved high accuracy in different feature extraction methods. And 188-dimensions feature extraction method improved the classification accuracy. In that the support vector machine algorithm and 188-dimensions feature extraction method were finally selected as the final experimental methods. In the 10-fold cross-validation processes, the SVM combined with 188-dimensions achieved 93.5% accuracy on the training set and 92.7% accuracy on the independent validation set. Besides, the evaluation index of the results of experiments indicate that the method developed by us is valid and robust.
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