Neuropeptides (NPs) are the most versatile neurotransmitters in the immune systems that regulate various central anxious hormones. An efficient and effective bioinformatics tool for rapid and accurate large-scale identification of NPs is critical in immunoinformatics, which is indispensable for basic research and drug development. Although a few NP prediction tools have been developed, it is mandatory to improve their NPs' prediction performances. In this study, we have developed a machine learning-based meta-predictor called NeuroPred-FRL by employing the feature representation learning approach. First, we generated 66 optimal baseline models by employing 11 different encodings, six different classifiers and a two-step feature selection approach. The predicted probability scores of NPs based on the 66 baseline models were combined to be deemed as the input feature vector. Second, in order to enhance the feature representation ability, we applied the two-step feature selection approach to optimize the 66-D probability feature vector and then inputted the optimal one into a random forest classifier for the final meta-model (NeuroPred-FRL) construction. Benchmarking experiments based on both cross-validation and independent tests indicate that the NeuroPred-FRL achieves a superior prediction performance of NPs compared with the other state-of-the-art predictors. We believe that the proposed NeuroPred-FRL can serve as a powerful tool for large-scale identification of NPs, facilitating the characterization of their functional mechanisms and expediting their applications in clinical therapy. Moreover, we interpreted some model mechanisms of NeuroPred-FRL by leveraging the robust SHapley Additive exPlanation algorithm.

NeuroPred-FRL: an interpretable prediction model for identifying neuropeptide using feature representation learning.



DNA N6-methyladenine plays an important role in the restriction-modification system to isolate invasion from adventive DNA. The shortcomings of the high time-consumption and high costs of experimental methods have been exposed, and some computational methods have emerged. The support vector machine theory has received extensive attention in the bioinformatics field due to its solid theoretical foundation and many good characteristics.



General machine learning methods include an important step of extracting features. The research has omitted this step and replaced with easy-to-obtain sequence distances matrix to obtain better results



First sequence alignment technology was used to achieve the similarity matrix. Then a novel transformation turned the similarity matrix into a distance matrix. Next, the similarity-distance matrix is made positive semi-definite so that it can be used in the kernel matrix. Finally, the LIBSVM software was applied to solve the support vector machine.



The five-fold cross-validation of this model on rice and mouse data has achieved excellent accuracy rates of 92.04% and 96.51%, respectively. This shows that the DB-SVM method has obvious advantages compared with traditional machine learning methods. Meanwhile this model achieved 0.943,0.982 and 0.818 accuracy,0.944, 0.982, and 0.838 Matthews correlation coefficient and 0.942, 0.982 and 0.840 F1 scores for the rice, M. musculus and cross-species genome datasets, respectively.



These outcomes show that this model outperforms the iIM-CNN and csDMA in the prediction of DNA 6mA modification, which are the lastest research on DNA 6mA.


Distance-based support vector machine to predict DNA N6-methyladenine modification

Cyclin proteins are capable to regulate the cell cycle by forming a complex with cyclin-dependent kinases to activate cell cycle. Correct recognition of cyclin proteins could provide key clues for studying their functions. However, their sequences share low similarity, which results in poor prediction for sequence similarity-based methods. Thus, it is urgent to construct a machine learning model to identify cyclin proteins. This study aimed to develop a computational model to discriminate cyclin proteins from non-cyclin proteins. In our model, protein sequences were encoded by seven kinds of features that are amino acid composition, composition of k-spaced amino acid pairs, tri peptide composition, pseudo amino acid composition, geary correlation, normalized moreau-broto autocorrelation and composition/transition/distribution. Afterward, these features were optimized by using analysis of variance (ANOVA) and minimum redundancy maximum relevance (mRMR) with incremental feature selection (IFS) technique. A gradient boost decision tree (GBDT) classifier was trained on the optimal features. Five-fold cross-validated results showed that our model would identify cyclins with an accuracy of 93.06% and AUC value of 0.971, which are higher than the two recent studies on the same data.

Identification of cyclin protein using gradient boost decision tree algorithm.

Background and Objective. The new coronavirus disease (known as COVID-19) was first identified in Wuhan and quickly spread worldwide, wreaking havoc on the economy and people's everyday lives. As the number of COVID-19 cases is rapidly increasing, a reliable detection technique is needed to identify affected individuals and care for them in the early stages of COVID-19 and reduce the virus's transmission. The most accessible method for COVID-19 identification is Reverse Transcriptase-Polymerase Chain Reaction (RT-PCR); however, it is time-consuming and has false-negative results. These limitations encouraged us to propose a novel framework based on deep learning that can aid radiologists in diagnosing COVID-19 cases from chest X-ray images. Methods. In this paper, a pretrained network, DenseNet169, was employed to extract features from X-ray images. Features were chosen by a feature selection method, i.e., analysis of variance (ANOVA), to reduce computations and time complexity while overcoming the curse of dimensionality to improve accuracy. Finally, selected features were classified by the eXtreme Gradient Boosting (XGBoost). The ChestX-ray8 dataset was employed to train and evaluate the proposed method. Results and Conclusion. The proposed method reached 98.72% accuracy for two-class classification (COVID-19, No-findings) and 92% accuracy for multiclass classification (COVID-19, No-findings, and Pneumonia). The proposed method's precision, recall, and specificity rates on two-class classification were 99.21%, 93.33%, and 100%, respectively. Also, the proposed method achieved 94.07% precision, 88.46% recall, and 100% specificity for multiclass classification. The experimental results show that the proposed framework outperforms other methods and can be helpful for radiologists in the diagnosis of COVID-19 cases. 

A Novel Framework Based on Deep Learning and ANOVA Feature Selection Method for Diagnosis of COVID-19 Cases from Chest X-Ray Images

2'-O-methylation (Nm) is a post-transcriptional modification of RNA that is catalyzed by 2'-O-methyltransferase and involves replacing the H on the 2'-hydroxyl group with a methyl group. The 2'-O-methylation modification site is detected in a variety of RNA types (miRNA, tRNA, mRNA, etc.), plays an important role in biological processes and is associated with different diseases. There are few functional mechanisms developed at present, and traditional high-throughput experiments are time-consuming and expensive to explore functional mechanisms. For a deeper understanding of relevant biological mechanisms, it is necessary to develop efficient and accurate recognition tools based on machine learning. Based on this, we constructed a predictor called NmRF based on optimal mixed features and random forest classifier to identify 2'-O-methylation modification sites. The predictor can identify modification sites of multiple species at the same time. To obtain a better prediction model, a two-step strategy is adopted; that is, the optimal hybrid feature set is obtained by combining the light gradient boosting algorithm and incremental feature selection strategy. In 10-fold cross-validation, the accuracies of Homo sapiens and Saccharomyces cerevisiae were 89.069 and 93.885%, and the AUC were 0.9498 and 0.9832, respectively. The rigorous 10-fold cross-validation and independent tests confirm that the proposed method is significantly better than existing tools. A user-friendly web server is accessible at http://lab.malab.cn/∼acy/NmRF.

https://academic.oup.com/bib/advance-article-pdf/doi/10.1093/bib/bbab480/41394666/bbab480.pdf

NmRF: identification of multispecies RNA 2'-O-methylation modification sites from RNA sequences.

Bioluminescent proteins (BLPs) are a class of proteins that widely distributed in many living organisms with various mechanisms of light emission including bioluminescence and chemiluminescence from luminous organisms. Bioluminescence has been commonly used in various analytical research methods of cellular processes, such as gene expression analysis, drug discovery, cellular imaging, and toxicity determination. However, the identification of bioluminescent proteins is challenging as they share poor sequence similarities among them. In this paper, we briefly reviewed the development of the computational identification of BLPs and subsequently proposed a novel predicting framework for identifying BLPs based on eXtreme gradient boosting algorithm (XGBoost) and using sequence-derived features. To train the models, we collected BLP data from bacteria, eukaryote, and archaea. Then, for getting more effective prediction models, we examined the performances of different feature extraction methods and their combinations as well as classification algorithms. Finally, based on the optimal model, a novel predictor named iBLP was constructed to identify BLPs. The robustness of iBLP has been proved by experiments on training and independent datasets. Comparison with other published method further demonstrated that the proposed method is powerful and could provide good performance for BLP identification. The webserver and software package for BLP identification are freely available at http://lin-group.cn/server/iBLP.

/pdf/iblp-an-xgboost-based-predictor-for-identifying-1jl3uxa3bi.pdf

iBLP: An XGBoost-Based Predictor for Identifying Bioluminescent Proteins.

DNase I hypersensitive site (DHS) refers to the hypersensitive region of chromatin for the DNase I enzyme. It is an important part of the noncoding region and contains a variety of regulatory elements, such as promoter, enhancer, and transcription factor-binding site, etc. Moreover, the related locus of disease (or trait) are usually enriched in the DHS regions. Therefore, the detection of DHS region is of great significance. In this study, we develop a deep learning-based algorithm to identify whether an unknown sequence region would be potential DHS. The proposed method showed high prediction performance on both training datasets and independent datasets in different cell types and developmental stages, demonstrating that the method has excellent superiority in the identification of DHSs. Furthermore, for the convenience of related wet-experimental researchers, the user-friendly web-server iDHS-Deep was established at http://lin-group.cn/server/iDHS-Deep/, by which users can easily distinguish DHS and non-DHS and obtain the corresponding developmental stage ofDHS.

iDHS-Deep: an integrated tool for predicting DNase I hypersensitive sites by deep neural network

4mC is a type of DNA alteration that has the ability to synchronize multiple biological movements, for example, DNA replication, gene expressions, and transcriptional regulations. Accurate prediction of 4mC sites can provide exact information to their hereditary functions. The purpose of this study was to establish a robust deep learning model to recognize 4mC sites in Geobacter pickeringii. In the anticipated model, two kinds of feature descriptors, namely, binary and k-mer composition were used to encode the DNA sequences of Geobacter pickeringii. The obtained features from their fusion were optimized by using correlation and gradient-boosting decision tree (GBDT)-based algorithm with incremental feature selection (IFS) method. Then, these optimized features were inserted into 1D convolutional neural network (CNN) to classify 4mC sites from non-4mC sites in Geobacter pickeringii. The performance of the anticipated model on independent data exhibited an accuracy of 0.868, which was 4.2% higher than the existing model.

/pdf/deep-4mcgp-a-deep-learning-approach-to-predict-4mc-sites-in-2njxcmaf.pdf

Qin-Lai Huang

Papers

iBLP: An XGBoost-Based Predictor for Identifying Bioluminescent Proteins.

Identification of cyclin protein using gradient boost decision tree algorithm.

iDHS-Deep: an integrated tool for predicting DNase I hypersensitive sites by deep neural network

Deep-4mCGP: A Deep Learning Approach to Predict 4mC Sites in Geobacter pickeringii by Using Correlation-Based Feature Selection Technique

Deep-4mCW2V: A sequence-based predictor to identify N4-methylcytosine sites in Escherichia coli.