scholarly journals Antimalarial Drug Predictions Using Molecular Descriptors and Machine Learning against Plasmodium Falciparum

Biomolecules ◽  
2021 ◽  
Vol 11 (12) ◽  
pp. 1750
Author(s):  
Medard Edmund Mswahili ◽  
Gati Lother Martin ◽  
Jiyoung Woo ◽  
Guang J. Choi ◽  
Young-Seob Jeong

Malaria remains by far one of the most threatening and dangerous illnesses caused by the plasmodium falciparum parasite. Chloroquine (CQ) and first-line artemisinin-based combination treatment (ACT) have long been the drug of choice for the treatment and controlling of malaria; however, the emergence of CQ-resistant and artemisinin resistance parasites is now present in most areas where malaria is endemic. In this work, we developed five machine learning models to predict antimalarial bioactivities of a drug against plasmodium falciparum from the features (i.e., molecular descriptors values) obtained from PaDEL software from SMILES of compounds and compare the machine learning models by experiments with our collected data of 4794 instances. As a consequence, we found that three models amongst the five, namely artificial neural network (ANN), extreme gradient boost (XGB), and random forest (RF), outperform the others in terms of accuracy while observing that, using roughly a quarter of the promising descriptors picked by the feature selection algorithm, the five models achieved equivalent and comparable performance. Nevertheless, the contribution of all molecular descriptors in the models was investigated through the comparison of their rank values by the feature selection algorithm and found that the most potent and relevant descriptors which come from the ‘Autocorrelation’ module contributed more while the ‘Atom type electrotopological state’ contributed the least to the model.

2021 ◽  
Vol 11 (19) ◽  
pp. 9296
Author(s):  
Talha Mahboob Alam ◽  
Mubbashar Mushtaq ◽  
Kamran Shaukat ◽  
Ibrahim A. Hameed ◽  
Muhammad Umer Sarwar ◽  
...  

Lack of education is a major concern in underdeveloped countries because it leads to poor human and economic development. The level of education in public institutions varies across all regions around the globe. Current disparities in access to education worldwide are mostly due to systemic regional differences and the distribution of resources. Previous research focused on evaluating students’ academic performance, but less has been done to measure the performance of educational institutions. Key performance indicators for the evaluation of institutional performance differ from student performance indicators. There is a dire need to evaluate educational institutions’ performance based on their disparities and academic results on a large scale. This study proposes a model to measure institutional performance based on key performance indicators through data mining techniques. Various feature selection methods were used to extract the key performance indicators. Several machine learning models, namely, J48 decision tree, support vector machines, random forest, rotation forest, and artificial neural networks were employed to build an efficient model. The results of the study were based on different factors, i.e., the number of schools in a specific region, teachers, school locations, enrolment, and availability of necessary facilities that contribute to school performance. It was also observed that urban regions performed well compared to rural regions due to the improved availability of educational facilities and resources. The results showed that artificial neural networks outperformed other models and achieved an accuracy of 82.9% when the relief-F based feature selection method was used. This study will help support efforts in governance for performance monitoring, policy formulation, target-setting, evaluation, and reform to address the issues and challenges in education worldwide.


2011 ◽  
pp. 81-104 ◽  
Author(s):  
G. Camps-Valls ◽  
J. F. Guerrero-Martinez

In this chapter, we review the vast field of application of artificial neural networks in cardiac pathology discrimination based on electrocardiographic signals. We discuss advantages and drawbacks of neural and adaptive systems in cardiovascular medicine and catch a glimpse of forthcoming developments in machine learning models for the real clinical environment. Some problems are identified in the learning tasks of beat detection, feature selection/extraction, and classification, and some proposals and suggestions are given to alleviate the problems of interpretability, overfitting, and adaptation. These have become important problems in recent years and will surely constitute the basis of some investigations in the immediate future.


Electronics ◽  
2020 ◽  
Vol 9 (1) ◽  
pp. 144 ◽  
Author(s):  
Yan Naung Soe ◽  
Yaokai Feng ◽  
Paulus Insap Santosa ◽  
Rudy Hartanto ◽  
Kouichi Sakurai

The application of a large number of Internet of Things (IoT) devices makes our life more convenient and industries more efficient. However, it also makes cyber-attacks much easier to occur because so many IoT devices are deployed and most of them do not have enough resources (i.e., computation and storage capacity) to carry out ordinary intrusion detection systems (IDSs). In this study, a lightweight machine learning-based IDS using a new feature selection algorithm is designed and implemented on Raspberry Pi, and its performance is verified using a public dataset collected from an IoT environment. To make the system lightweight, we propose a new algorithm for feature selection, called the correlated-set thresholding on gain-ratio (CST-GR) algorithm, to select really necessary features. Because the feature selection is conducted on three specific kinds of cyber-attacks, the number of selected features can be significantly reduced, which makes the classifiers very small and fast. Thus, our detection system is lightweight enough to be implemented and carried out in a Raspberry Pi system. More importantly, as the really necessary features corresponding to each kind of attack are exploited, good detection performance can be expected. The performance of our proposal is examined in detail with different machine learning algorithms, in order to learn which of them is the best option for our system. The experiment results indicate that the new feature selection algorithm can select only very few features for each kind of attack. Thus, the detection system is lightweight enough to be implemented in the Raspberry Pi environment with almost no sacrifice on detection performance.


2013 ◽  
Vol 22 (04) ◽  
pp. 1350027
Author(s):  
JAGANATHAN PALANICHAMY ◽  
KUPPUCHAMY RAMASAMY

Feature selection is essential in data mining and pattern recognition, especially for database classification. During past years, several feature selection algorithms have been proposed to measure the relevance of various features to each class. A suitable feature selection algorithm normally maximizes the relevancy and minimizes the redundancy of the selected features. The mutual information measure can successfully estimate the dependency of features on the entire sampling space, but it cannot exactly represent the redundancies among features. In this paper, a novel feature selection algorithm is proposed based on maximum relevance and minimum redundancy criterion. The mutual information is used to measure the relevancy of each feature with class variable and calculate the redundancy by utilizing the relationship between candidate features, selected features and class variables. The effectiveness is tested with ten benchmarked datasets available in UCI Machine Learning Repository. The experimental results show better performance when compared with some existing algorithms.


Author(s):  
J. V. D. Prasad ◽  
A. Raghuvira Pratap ◽  
Babu Sallagundla

With the rapid increase in number of clinical data and hence the prediction and analysing data becomes very difficult. With the help of various machine learning models, it becomes easy to work on these huge data. A machine learning model faces lots of challenges; one among the challenge is feature selection. In this research work, we propose a novel feature selection method based on statistical procedures to increase the performance of the machine learning model. Furthermore, we have tested the feature selection algorithm in liver disease classification dataset and the results obtained shows the efficiency of the proposed method.


Diabetes has become a serious problem now a day. So there is a need to take serious precautions to eradicate this. To eradicate, we should know the level of occurrence. In this project we predict the level of occurrence of diabetes. We predict the level of occurrence of diabetes using Random Forest, a Machine Learning Algorithm. Using the patient’s Electronic Health Records (EHR) we can build accurate models that predict the presence of diabetes.


2021 ◽  
Vol 2021 ◽  
pp. 1-22
Author(s):  
Tanya Gera ◽  
Jaiteg Singh ◽  
Abolfazl Mehbodniya ◽  
Julian L. Webber ◽  
Mohammad Shabaz ◽  
...  

Ransomware is a special malware designed to extort money in return for unlocking the device and personal data files. Smartphone users store their personal as well as official data on these devices. Ransomware attackers found it bewitching for their financial benefits. The financial losses due to ransomware attacks are increasing rapidly. Recent studies witness that out of 87% reported cyber-attacks, 41% are due to ransomware attacks. The inability of application-signature-based solutions to detect unknown malware has inspired many researchers to build automated classification models using machine learning algorithms. Advanced malware is capable of delaying malicious actions on sensing the emulated environment and hence posing a challenge to dynamic monitoring of applications also. Existing hybrid approaches utilize a variety of features combination for detection and analysis. The rapidly changing nature and distribution strategies are possible reasons behind the deteriorated performance of primitive ransomware detection techniques. The limitations of existing studies include ambiguity in selecting the features set. Increasing the feature set may lead to freedom of adept attackers against learning algorithms. In this work, we intend to propose a hybrid approach to identify and mitigate Android ransomware. This study employs a novel dominant feature selection algorithm to extract the dominant feature set. The experimental results show that our proposed model can differentiate between clean and ransomware with improved precision. Our proposed hybrid solution confirms an accuracy of 99.85% with zero false positives while considering 60 prominent features. Further, it also justifies the feature selection algorithm used. The comparison of the proposed method with the existing frameworks indicates its better performance.


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