Q3 Accuracy and SOV Measure Analysis of Application of GA in Protein Secondary Structure Prediction

The protein secondary structure prediction (PSP) of the large biological molecule protein is an important task of bioinformatics and in the last decades many machines learning and soft computing methodologies play vital roles in achieving satisfactory results. The protein structural class determination is an important topic in protein science because an idea about protein structural class is quite useful to know about the changes and reaction of a living body in order to design new drugs and medicines. Though several hard computing techniques may be helpful in these areas but focusing upon the steady development and big data size in protein sequences that are entering into databanks, it is a challenge to do experiments with the hard computing techniques. Soft computing techniques like Artificial Neural Network, Fuzzy logic, Genetic Algorithm play a vital role for these types of genomic researches. To face these complex challenges, this article presents a novel method to predict the protein structure by using Genetic Algorithm. The Q3 accuracy and SOV measure analysis with SOVH, SOVE, SOVC value of respective α-helix (H), β-sheet (E) and coil/loop(C) structures are also discussed. The application of Genetic algorithm i.e. the proposed technique GApred provides better result than that of SPIDER2, JPred4, FSVM and SSpro5 for all the three datasets in the experiment. This method is helpful for distinct protein secondary structure prediction and a significant success rate was observed, which indicates that it can be used as a powerful tool in drug design and medicine research.

Protein structural class prediction using predicted secondary structure and hydropathy profile

This thesis explores machine learning models based on various feature sets to solve the protein structural class prediction problem which is a significant classification problem in bioinformatics. Knowledge of protein structural classes contributes to an understanding of protein folding patterns, and this has made structural class prediction research a major topic of interest. In this thesis, features are extracted from predicted secondary structure and hydropathy sequence using new strategies to classify proteins into one of the four major structural classes: all-α, all-β, α/β, and α+β. The prediction accuracy using these features compares favourably with some existing successful methods. We use Support Vector Machines (SVM), since this learning method has well-known efficiency in solving this classification problem. On a standard dataset (25PDB), the proposed system has an overall accuracy of 89% with as few as 22 features, whereas the previous best performing method had an accuracy of 88% using 2510 features.

Protein structural class prediction using predicted secondary structure and hydropathy profile

This thesis explores machine learning models based on various feature sets to solve the protein structural class prediction problem which is a significant classification problem in bioinformatics. Knowledge of protein structural classes contributes to an understanding of protein folding patterns, and this has made structural class prediction research a major topic of interest. In this thesis, features are extracted from predicted secondary structure and hydropathy sequence using new strategies to classify proteins into one of the four major structural classes: all-α, all-β, α/β, and α+β. The prediction accuracy using these features compares favourably with some existing successful methods. We use Support Vector Machines (SVM), since this learning method has well-known efficiency in solving this classification problem. On a standard dataset (25PDB), the proposed system has an overall accuracy of 89% with as few as 22 features, whereas the previous best performing method had an accuracy of 88% using 2510 features.

Using Recursive Feature Selection with Random Forest to Improve Protein Structural Class Prediction for Low-Similarity Sequences

Many combinations of protein features are used to improve protein structural class prediction, but the information redundancy is often ignored. In order to select the important features with strong classification ability, we proposed a recursive feature selection with random forest to improve protein structural class prediction. We evaluated the proposed method with four experiments and compared it with the available competing prediction methods. The results indicate that the proposed feature selection method effectively improves the efficiency of protein structural class prediction. Only less than 5% features are used, but the prediction accuracy is improved by 4.6-13.3%. We further compared different protein features and found that the predicted secondary structural features achieve the best performance. This understanding can be used to design more powerful prediction methods for the protein structural class.

Recent Advances in the Prediction of Protein Structural Classes: Feature Descriptors and Machine Learning Algorithms

In the postgenomic age, rapid growth in the number of sequence-known proteins has been accompanied by much slower growth in the number of structure-known proteins (as a result of experimental limitations), and a widening gap between the two is evident. Because protein function is linked to protein structure, successful prediction of protein structure is of significant importance in protein function identification. Foreknowledge of protein structural class can help improve protein structure prediction with significant medical and pharmaceutical implications. Thus, a fast, suitable, reliable, and reasonable computational method for protein structural class prediction has become pivotal in bioinformatics. Here, we review recent efforts in protein structural class prediction from protein sequence, with particular attention paid to new feature descriptors, which extract information from protein sequence, and the use of machine learning algorithms in both feature selection and the construction of new classification models. These new feature descriptors include amino acid composition, sequence order, physicochemical properties, multiprofile Bayes, and secondary structure-based features. Machine learning methods, such as artificial neural networks (ANNs), support vector machine (SVM), K-nearest neighbor (KNN), random forest, deep learning, and examples of their application are discussed in detail. We also present our view on possible future directions, challenges, and opportunities for the applications of machine learning algorithms for prediction of protein structural classes.

Prediction of Protein Structural Classes: Features Extraction to Classification Algorithm

: The fast growing of protein sequencing and protein structure data has promoted the development of the protein structural class prediction. Several prediction methods have been proposed to study protein folding rate, DNA binding sites, as well as reducing the search of conformational space and realizing the prediction of tertiary structure. This paper introduces the current approaches of protein structural class prediction and emphasize their steps from information extraction to classification algorithms.

Image-based effective feature generation for protein structural class and ligand binding prediction

Proteins are the building blocks of all cells in both human and all living creatures of the world. Most of the work in the living organism is performed by proteins. Proteins are polymers of amino acid monomers which are biomolecules or macromolecules. The tertiary structure of protein represents the three-dimensional shape of a protein. The functions, classification and binding sites are governed by the protein’s tertiary structure. If two protein structures are alike, then the two proteins can be of the same kind implying similar structural class and ligand binding properties. In this paper, we have used the protein tertiary structure to generate effective features for applications in structural similarity to detect structural class and ligand binding. Firstly, we have analyzed the effectiveness of a group of image-based features to predict the structural class of a protein. These features are derived from the image generated by the distance matrix of the tertiary structure of a given protein. They include local binary pattern (LBP) histogram, Gabor filtered LBP histogram, separate row multiplication matrix with uniform LBP histogram, neighbor block subtraction matrix with uniform LBP histogram and atom bond. Separate row multiplication matrix and neighbor block subtraction matrix filters, as well as atom bond, are our novels. The experiments were done on a standard benchmark dataset. We have demonstrated the effectiveness of these features over a large variety of supervised machine learning algorithms. Experiments suggest support vector machines is the best performing classifier on the selected dataset using the set of features. We believe the excellent performance of Hybrid LBP in terms of accuracy would motivate the researchers and practitioners to use it to identify protein structural class. To facilitate that, a classification model using Hybrid LBP is readily available for use at http://brl.uiu.ac.bd/PL/. Protein-ligand binding is accountable for managing the tasks of biological receptors that help to cure diseases and many more. Therefore, binding prediction between protein and ligand is important for understanding a protein’s activity or to accelerate docking computations in virtual screening-based drug design. Protein-ligand binding prediction requires three-dimensional tertiary structure of the target protein to be searched for ligand binding. In this paper, we have proposed a supervised learning algorithm for predicting protein-ligand binding, which is a similarity-based clustering approach using the same set of features. Our algorithm works better than the most popular and widely used machine learning algorithms.