scholarly journals Computer-aided prediction and design of IL-6 inducing peptides: IL-6 plays a crucial role in COVID-19

Author(s):  
Anjali Dhall ◽  
Sumeet Patiyal ◽  
Neelam Sharma ◽  
Salman Sadullah Usmani ◽  
Gajendra P S Raghava

Abstract Interleukin 6 (IL-6) is a pro-inflammatory cytokine that stimulates acute phase responses, hematopoiesis and specific immune reactions. Recently, it was found that the IL-6 plays a vital role in the progression of COVID-19, which is responsible for the high mortality rate. In order to facilitate the scientific community to fight against COVID-19, we have developed a method for predicting IL-6 inducing peptides/epitopes. The models were trained and tested on experimentally validated 365 IL-6 inducing and 2991 non-inducing peptides extracted from the immune epitope database. Initially, 9149 features of each peptide were computed using Pfeature, which were reduced to 186 features using the SVC-L1 technique. These features were ranked based on their classification ability, and the top 10 features were used for developing prediction models. A wide range of machine learning techniques has been deployed to develop models. Random Forest-based model achieves a maximum AUROC of 0.84 and 0.83 on training and independent validation dataset, respectively. We have also identified IL-6 inducing peptides in different proteins of SARS-CoV-2, using our best models to design vaccine against COVID-19. A web server named as IL-6Pred and a standalone package has been developed for predicting, designing and screening of IL-6 inducing peptides (https://webs.iiitd.edu.in/raghava/il6pred/).

2021 ◽  
Vol 2021 ◽  
pp. 1-10
Author(s):  
Shun-Chieh Hsieh

The use of machine learning techniques to predict material strength is becoming popular. However, not much attention has been paid to instance-based learning (IBL) algorithms. Therefore, in order to predict material strength, as the direct method by conducting tests is time-consuming and expensive and experimental errors are inevitable, an indirect method based on elementary instance-based learning algorithm was proposed. The standard k-nearest neighbors (k-NN) with cross-validation were utilized to develop compressive strength prediction models for some concretes and rocks by considering indirect parameters such as physical and mechanical parameters. Results on applying this method to datasets from literature studies show that the values of RMSE for k-NN are modest, indicating adequacy to predict compressive strength with comprehensive range values of predictors. Additionally, the R2-values of the k-NN models were high. In other words, the models were able to explain the variance in compressive strength for data with a wide range of input values.


2021 ◽  
Author(s):  
Anjali Lathwal ◽  
Rajesh Kumar ◽  
Dilraj Kaur ◽  
Gajendra P.S. Raghava

Interleukin-2 (IL-2) based immunotherapy has been already approved to treat certain type of cancers as it plays vital role in immune system. Thus it is important to discover new peptides or epitopes that can induce IL-2 with high efficiency. We analyzed experimentally validated IL-2 inducing and non-inducing peptides and observed differ in average amino acid composition, motifs, length, and positional preference of amino acid residues at the N- and C-terminus. In this study, 2528 IL-2 inducing and 2104 non-IL-2 inducing peptides have been used for traning, testing, traing and validation of our models. A large number of machine learning techniques and around 10,000 peptide features have been used for developing prediction models. The Random Forest-based model using hybrid features achieved a maximum accuracy of 73.25%, with AUC of 0.73 on the training set; accuracy of 72.89% with AUC of 0.72 on validation dataset. A web-server IL2pred has been developed for predicting IL-2 inducing peptides, scanning IL-inducing regions in a protein and designing IL-2 specific epitopes by ranking peptide analogs ( https://webs.iiitd.edu.in/raghava/il2pred/ ).


2020 ◽  
Vol 16 ◽  
Author(s):  
Nitigya Sambyal ◽  
Poonam Saini ◽  
Rupali Syal

Background and Introduction: Diabetes mellitus is a metabolic disorder that has emerged as a serious public health issue worldwide. According to the World Health Organization (WHO), without interventions, the number of diabetic incidences is expected to be at least 629 million by 2045. Uncontrolled diabetes gradually leads to progressive damage to eyes, heart, kidneys, blood vessels and nerves. Method: The paper presents a critical review of existing statistical and Artificial Intelligence (AI) based machine learning techniques with respect to DM complications namely retinopathy, neuropathy and nephropathy. The statistical and machine learning analytic techniques are used to structure the subsequent content review. Result: It has been inferred that statistical analysis can help only in inferential and descriptive analysis whereas, AI based machine learning models can even provide actionable prediction models for faster and accurate diagnose of complications associated with DM. Conclusion: The integration of AI based analytics techniques like machine learning and deep learning in clinical medicine will result in improved disease management through faster disease detection and cost reduction for disease treatment.


2021 ◽  
Vol 13 (7) ◽  
pp. 3870
Author(s):  
Mehrbakhsh Nilashi ◽  
Shahla Asadi ◽  
Rabab Ali Abumalloh ◽  
Sarminah Samad ◽  
Fahad Ghabban ◽  
...  

This study aims to develop a new approach based on machine learning techniques to assess sustainability performance. Two main dimensions of sustainability, ecological sustainability, and human sustainability, were considered in this study. A set of sustainability indicators was used, and the research method in this study was developed using cluster analysis and prediction learning techniques. A Self-Organizing Map (SOM) was applied for data clustering, while Classification and Regression Trees (CART) were applied to assess sustainability performance. The proposed method was evaluated through Sustainability Assessment by Fuzzy Evaluation (SAFE) dataset, which comprises various indicators of sustainability performance in 128 countries. Eight clusters from the data were found through the SOM clustering technique. A prediction model was found in each cluster through the CART technique. In addition, an ensemble of CART was constructed in each cluster of SOM to increase the prediction accuracy of CART. All prediction models were assessed through the adjusted coefficient of determination approach. The results demonstrated that the prediction accuracy values were high in all CART models. The results indicated that the method developed by ensembles of CART and clustering provide higher prediction accuracy than individual CART models. The main advantage of integrating the proposed method is its ability to automate decision rules from big data for prediction models. The method proposed in this study could be implemented as an effective tool for sustainability performance assessment.


2021 ◽  
Vol 19 (2) ◽  
pp. 19-30
Author(s):  
G. Nagarajan ◽  
Dr.A. Mahabub Basha ◽  
R. Poornima

One main psychiatric disorder found in humans is ASD (Autistic Spectrum Disorder). The disease manifests in a mental disorder that restricts humans from communications, language, speech in terms of their individual abilities. Even though its cure is complex and literally impossible, its early detection is required for mitigating its intensity. ASD does not have a pre-defined age for affecting humans. A system for effectively predicting ASD based on MLTs (Machine Learning Techniques) is proposed in this work. Hybrid APMs (Autism Prediction Models) combining multiple techniques like RF (Random Forest), CART (Classification and Regression Trees), RF-ID3 (RF-Iterative Dichotomiser 3) perform well, but face issues in memory usage, execution times and inadequate feature selections. Taking these issues into account, this work overcomes these hurdles in this proposed work with a hybrid technique that combines MCSO (Modified Chicken Swarm Optimization) and PDCNN (Polynomial Distribution based Convolution Neural Network) algorithms for its objective. The proposed scheme’s experimental results prove its higher levels of accuracy, precision, sensitivity, specificity, FPRs (False Positive Rates) and lowered time complexity when compared to other methods.


Author(s):  
Swathi Gorthi ◽  
Huifang Dou

This paper provides a survey on different kinds of prediction models developed for the estimation of soil moisture content of an area, using empirical information including meteorological and remotely sensed data. The different models employed extend over a wide range of machine learning techniques starting from Basic Linear Regression models through models based on Bayesian framework, Decision tree learning and Recursive partitioning, to the modern non-linear statistical data modeling tools like Artificial Neural Networks. The fundamental mathematical backgrounds, pros and cons, prediction results and efficiencies of all the models are discussed.


2018 ◽  
Vol 11 (1) ◽  
pp. 105 ◽  
Author(s):  
Syed Abidi ◽  
Mushtaq Hussain ◽  
Yonglin Xu ◽  
Wu Zhang

Incorporating substantial, sustainable development issues into teaching and learning is the ultimate task of Education for Sustainable Development (ESD). The purpose of our study was to identify the confused students who had failed to master the skill(s) given by the tutors as homework using the Intelligent Tutoring System (ITS). We have focused ASSISTments, an ITS in this study, and scrutinized the skill-builder data using machine learning techniques and methods. We used seven candidate models including: Naïve Bayes (NB), Generalized Linear Model (GLM), Logistic Regression (LR), Deep Learning (DL), Decision Tree (DT), Random Forest (RF), and Gradient Boosted Trees (XGBoost). We trained, validated, and tested learning algorithms, performed stratified cross-validation, and measured the performance of the models through various performance metrics, i.e., ROC (Receiver Operating Characteristic), Accuracy, Precision, Recall, F-Measure, Sensitivity, and Specificity. We found RF, GLM, XGBoost, and DL were high accuracy-achieving classifiers. However, other perceptions such as detecting unexplored features that might be related to the forecasting of outputs can also boost the accuracy of the prediction model. Through machine learning methods, we identified the group of students that were confused when attempting the homework exercise, to help foster their knowledge and talent to play a vital role in environmental development.


2021 ◽  
Vol 8 (1) ◽  
Author(s):  
Majid Amirfakhrian ◽  
Mahboub Parhizkar

AbstractIn the next decade, machine vision technology will have an enormous impact on industrial works because of the latest technological advances in this field. These advances are so significant that the use of this technology is now essential. Machine vision is the process of using a wide range of technologies and methods in providing automated inspections in an industrial setting based on imaging, process control, and robot guidance. One of the applications of machine vision is to diagnose traffic accidents. Moreover, car vision is utilized for detecting the amount of damage to vehicles during traffic accidents. In this article, using image processing and machine learning techniques, a new method is presented to improve the accuracy of detecting damaged areas in traffic accidents. Evaluating the proposed method and comparing it with previous works showed that the proposed method is more accurate in identifying damaged areas and it has a shorter execution time.


2021 ◽  
Author(s):  
Anjali Dhall ◽  
Sumeet Patiyal ◽  
Neelam Sharma ◽  
Naorem Leimarembi Devi ◽  
Gajendra P. S. Raghava

Abstract It has been shown in the past that levels of cytokines, including interleukin 6 (IL6), is highly correlated with the disease severity of COVID-19 patients. IL6 mediated activation of STAT3 is responsible to proliferate proinflammatory responses that leads to promotion of cytokine storm. Thus, STAT3 inhibitors may play a crucial role in managing pathogenesis of COVID-19. This paper describes a method developed for predicting inhibitors against the IL6-mediated STAT3 signaling pathway. The dataset used for training, testing, and evaluation of models contains small-molecule based 1564 STAT3 inhibitors and 1671 non-inhibitors. Analysis of data indicates that rings and aromatic groups are significantly abundant in STAT3 inhibitors compared to non-inhibitors. In order to build models, we generate a wide range of descriptors for each chemical compound. Firstly, we developed models using 2-D and 3-D descriptors and achieved maximum AUC 0.84 and 0.73, respectively. Secondly, fingerprints (FP) are used to build prediction models and achieved 0.86 AUC and accuracy of 78.70% on validation dataset. Finally, models were developed using hybrid features or descriptors, achieve a maximum of 0.87 AUC on the validation dataset. We used our best model to identify STAT3 inhibitors in FDA-approved drugs and found few drugs (e.g., Tamoxifen, and Perindopril) that can be used to manage COVID-19 associated cytokine storm. A webserver “STAT3In” (https://webs.iiitd.edu.in/raghava/stat3in/ ) has been developed to predict and design STAT3 inhibitors.


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