scholarly journals Identification of early liver toxicity gene biomarkers using comparative supervised machine learning

2020 ◽  
Vol 10 (1) ◽  
Author(s):  
Brandi Patrice Smith ◽  
Loretta Sue Auvil ◽  
Michael Welge ◽  
Colleen Bannon Bushell ◽  
Rohit Bhargava ◽  
...  
Keyword(s):  
Machine Learning ◽  
Feature Selection ◽  
Liver Toxicity ◽  
Toxicity Testing ◽  
High Specificity ◽  
Supervised Machine Learning ◽  
Validation Dataset ◽  
Learning Approaches ◽  
Liver Necrosis ◽  
Microarray Quality Control

Abstract Screening agrochemicals and pharmaceuticals for potential liver toxicity is required for regulatory approval and is an expensive and time-consuming process. The identification and utilization of early exposure gene signatures and robust predictive models in regulatory toxicity testing has the potential to reduce time and costs substantially. In this study, comparative supervised machine learning approaches were applied to the rat liver TG-GATEs dataset to develop feature selection and predictive testing. We identified ten gene biomarkers using three different feature selection methods that predicted liver necrosis with high specificity and selectivity in an independent validation dataset from the Microarray Quality Control (MAQC)-II study. Nine of the ten genes that were selected with the supervised methods are involved in metabolism and detoxification (Car3, Crat, Cyp39a1, Dcd, Lbp, Scly, Slc23a1, and Tkfc) and transcriptional regulation (Ablim3). Several of these genes are also implicated in liver carcinogenesis, including Crat, Car3 and Slc23a1. Our biomarker gene signature provides high statistical accuracy and a manageable number of genes to study as indicators to potentially accelerate toxicity testing based on their ability to induce liver necrosis and, eventually, liver cancer.

scholarly journals Comparison of Implicit vs. Explicit Regime Identification in Machine Learning Methods for Solar Irradiance Prediction

Energies ◽  
2020 ◽  
Vol 13 (3) ◽  
pp. 689 ◽  
Author(s):  
Tyler McCandless ◽  
Susan Dettling ◽  
Sue Ellen Haupt
Keyword(s):  
Machine Learning ◽  
Solar Power ◽  
Network Models ◽  
Supervised Machine Learning ◽  
Machine Learning Techniques ◽  
Validation Dataset ◽  
Prediction Errors ◽  
Learning Approaches ◽  
Power Prediction ◽  
Neural Network Models

This work compares the solar power forecasting performance of tree-based methods that include implicit regime-based models to explicit regime separation methods that utilize both unsupervised and supervised machine learning techniques. Previous studies have shown an improvement utilizing a regime-based machine learning approach in a climate with diverse cloud conditions. This study compares the machine learning approaches for solar power prediction at the Shagaya Renewable Energy Park in Kuwait, which is in an arid desert climate characterized by abundant sunshine. The regime-dependent artificial neural network models undergo a comprehensive parameter and hyperparameter tuning analysis to minimize the prediction errors on a test dataset. The final results that compare the different methods are computed on an independent validation dataset. The results show that the tree-based methods, the regression model tree approach, performs better than the explicit regime-dependent approach. These results appear to be a function of the predominantly sunny conditions that limit the ability of an unsupervised technique to separate regimes for which the relationship between the predictors and the predictand would differ for the supervised learning technique.

Mol2vec: Unsupervised Machine Learning Approach with Chemical Intuition

2017 ◽  
Author(s):  
Sabrina Jaeger ◽  
Simone Fulle ◽  
Samo Turk
Keyword(s):  
Machine Learning ◽  
Language Processing ◽  
Supervised Machine Learning ◽  
Learning Approach ◽  
Learning Approaches ◽  
Unsupervised Machine Learning ◽  
Feature Representations ◽  
Machine Learning Approach ◽  
The Individual ◽  
Vector Representations

Inspired by natural language processing techniques we here introduce Mol2vec which is an unsupervised machine learning approach to learn vector representations of molecular substructures. Similarly, to the Word2vec models where vectors of closely related words are in close proximity in the vector space, Mol2vec learns vector representations of molecular substructures that are pointing in similar directions for chemically related substructures. Compounds can finally be encoded as vectors by summing up vectors of the individual substructures and, for instance, feed into supervised machine learning approaches to predict compound properties. The underlying substructure vector embeddings are obtained by training an unsupervised machine learning approach on a so-called corpus of compounds that consists of all available chemical matter. The resulting Mol2vec model is pre-trained once, yields dense vector representations and overcomes drawbacks of common compound feature representations such as sparseness and bit collisions. The prediction capabilities are demonstrated on several compound property and bioactivity data sets and compared with results obtained for Morgan fingerprints as reference compound representation. Mol2vec can be easily combined with ProtVec, which employs the same Word2vec concept on protein sequences, resulting in a proteochemometric approach that is alignment independent and can be thus also easily used for proteins with low sequence similarities.

Recent Progress in Machine Learning-based Prediction of Peptide Activity for Drug Discovery

2019 ◽  
Vol 19 (1) ◽  
pp. 4-16 ◽  
Author(s):  
Qihui Wu ◽  
Hanzhong Ke ◽  
Dongli Li ◽  
Qi Wang ◽  
Jiansong Fang ◽  
...  
Keyword(s):  
Machine Learning ◽  
Drug Discovery ◽  
Large Scale ◽  
Recent Progress ◽  
High Specificity ◽  
Learning Approaches ◽  
Anticancer Peptides ◽  
The Past ◽  
Traditional Approaches ◽  
Large Scale Screening

Over the past decades, peptide as a therapeutic candidate has received increasing attention in drug discovery, especially for antimicrobial peptides (AMPs), anticancer peptides (ACPs) and antiinflammatory peptides (AIPs). It is considered that the peptides can regulate various complex diseases which are previously untouchable. In recent years, the critical problem of antimicrobial resistance drives the pharmaceutical industry to look for new therapeutic agents. Compared to organic small drugs, peptide- based therapy exhibits high specificity and minimal toxicity. Thus, peptides are widely recruited in the design and discovery of new potent drugs. Currently, large-scale screening of peptide activity with traditional approaches is costly, time-consuming and labor-intensive. Hence, in silico methods, mainly machine learning approaches, for their accuracy and effectiveness, have been introduced to predict the peptide activity. In this review, we document the recent progress in machine learning-based prediction of peptides which will be of great benefit to the discovery of potential active AMPs, ACPs and AIPs.

scholarly journals An Improved Machine Learning-Based Employees Attrition Prediction Framework with Emphasis on Feature Selection

Mathematics ◽  
2021 ◽  
Vol 9 (11) ◽  
pp. 1226
Author(s):  
Saeed Najafi-Zangeneh ◽  
Naser Shams-Gharneh ◽  
Ali Arjomandi-Nezhad ◽  
Sarfaraz Hashemkhani Zolfani
Keyword(s):  
Machine Learning ◽  
Feature Selection ◽  
Standard Deviation ◽  
Analytical Formula ◽  
Feature Selection Method ◽  
Selection Method ◽  
Performance Measure ◽  
Learning Approaches ◽  
Training Costs ◽  
Professional Employees

Companies always seek ways to make their professional employees stay with them to reduce extra recruiting and training costs. Predicting whether a particular employee may leave or not will help the company to make preventive decisions. Unlike physical systems, human resource problems cannot be described by a scientific-analytical formula. Therefore, machine learning approaches are the best tools for this aim. This paper presents a three-stage (pre-processing, processing, post-processing) framework for attrition prediction. An IBM HR dataset is chosen as the case study. Since there are several features in the dataset, the “max-out” feature selection method is proposed for dimension reduction in the pre-processing stage. This method is implemented for the IBM HR dataset. The coefficient of each feature in the logistic regression model shows the importance of the feature in attrition prediction. The results show improvement in the F1-score performance measure due to the “max-out” feature selection method. Finally, the validity of parameters is checked by training the model for multiple bootstrap datasets. Then, the average and standard deviation of parameters are analyzed to check the confidence value of the model’s parameters and their stability. The small standard deviation of parameters indicates that the model is stable and is more likely to generalize well.

scholarly journals Supervised learning for the detection of negation and of its scope in French and Brazilian Portuguese biomedical corpora

2020 ◽  
pp. 1-21 ◽  
Author(s):  
Clément Dalloux ◽  
Vincent Claveau ◽  
Natalia Grabar ◽  
Lucas Emanuel Silva Oliveira ◽  
Claudia Maria Cabral Moro ◽  
...  
Keyword(s):  
Machine Learning ◽  
Information Extraction ◽  
State Of The Art ◽  
Automatic Detection ◽  
Brazilian Portuguese ◽  
Supervised Machine Learning ◽  
Biomedical Domain ◽  
Learning Approaches ◽  
Cross Domain ◽  
Automatic Methods

Abstract Automatic detection of negated content is often a prerequisite in information extraction systems in various domains. In the biomedical domain especially, this task is important because negation plays an important role. In this work, two main contributions are proposed. First, we work with languages which have been poorly addressed up to now: Brazilian Portuguese and French. Thus, we developed new corpora for these two languages which have been manually annotated for marking up the negation cues and their scope. Second, we propose automatic methods based on supervised machine learning approaches for the automatic detection of negation marks and of their scopes. The methods show to be robust in both languages (Brazilian Portuguese and French) and in cross-domain (general and biomedical languages) contexts. The approach is also validated on English data from the state of the art: it yields very good results and outperforms other existing approaches. Besides, the application is accessible and usable online. We assume that, through these issues (new annotated corpora, application accessible online, and cross-domain robustness), the reproducibility of the results and the robustness of the NLP applications will be augmented.

scholarly journals Attack and Anomaly Detection in IoT Networks Using Supervised Machine Learning Approaches

2021 ◽  
Vol 35 (1) ◽  
pp. 11-21
Author(s):  
Himani Tyagi ◽  
Rajendra Kumar
Keyword(s):  
Machine Learning ◽  
Performance Metrics ◽  
Detection System ◽  
Feature Reduction ◽  
Machine Learning Algorithms ◽  
Supervised Machine Learning ◽  
Testing Time ◽  
Learning Approaches ◽  
Reduction Techniques ◽  
Share Data

IoT is characterized by communication between things (devices) that constantly share data, analyze, and make decisions while connected to the internet. This interconnected architecture is attracting cyber criminals to expose the IoT system to failure. Therefore, it becomes imperative to develop a system that can accurately and automatically detect anomalies and attacks occurring in IoT networks. Therefore, in this paper, an Intrsuion Detection System (IDS) based on extracted novel feature set synthesizing BoT-IoT dataset is developed that can swiftly, accurately and automatically differentiate benign and malicious traffic. Instead of using available feature reduction techniques like PCA that can change the core meaning of variables, a unique feature set consisting of only seven lightweight features is developed that is also IoT specific and attack traffic independent. Also, the results shown in the study demonstrates the effectiveness of fabricated seven features in detecting four wide variety of attacks namely DDoS, DoS, Reconnaissance, and Information Theft. Furthermore, this study also proves the applicability and efficiency of supervised machine learning algorithms (KNN, LR, SVM, MLP, DT, RF) in IoT security. The performance of the proposed system is validated using performance Metrics like accuracy, precision, recall, F-Score and ROC. Though the accuracy of Decision Tree (99.9%) and Randon Forest (99.9%) Classifiers are same but other metrics like training and testing time shows Random Forest comparatively better.

scholarly journals Machine Learning Approaches to Traffic Accident Analysis and Hotspot Prediction

Computers ◽  
2021 ◽  
Vol 10 (12) ◽  
pp. 157
Author(s):  
Daniel Santos ◽  
José Saias ◽  
Paulo Quaresma ◽  
Vítor Beires Nogueira
Keyword(s):  
Machine Learning ◽  
Predictive Model ◽  
Road Accident ◽  
Influential Factors ◽  
Supervised Machine Learning ◽  
Machine Learning Techniques ◽  
Economic Losses ◽  
Learning Approaches ◽  
Road Accidents ◽  
Accident Data

Traffic accidents are one of the most important concerns of the world, since they result in numerous casualties, injuries, and fatalities each year, as well as significant economic losses. There are many factors that are responsible for causing road accidents. If these factors can be better understood and predicted, it might be possible to take measures to mitigate the damages and its severity. The purpose of this work is to identify these factors using accident data from 2016 to 2019 from the district of Setúbal, Portugal. This work aims at developing models that can select a set of influential factors that may be used to classify the severity of an accident, supporting an analysis on the accident data. In addition, this study also proposes a predictive model for future road accidents based on past data. Various machine learning approaches are used to create these models. Supervised machine learning methods such as decision trees (DT), random forests (RF), logistic regression (LR), and naive Bayes (NB) are used, as well as unsupervised machine learning techniques including DBSCAN and hierarchical clustering. Results show that a rule-based model using the C5.0 algorithm is capable of accurately detecting the most relevant factors describing a road accident severity. Further, the results of the predictive model suggests the RF model could be a useful tool for forecasting accident hotspots.

scholarly journals Machine Learning Frameworks in Cancer Detection

2021 ◽  
Vol 297 ◽  
pp. 01073
Author(s):  
Sabyasachi Pramanik ◽  
K. Martin Sagayam ◽  
Om Prakash Jena
Keyword(s):  
Machine Learning ◽  
Prediction Models ◽  
Supervised Machine Learning ◽  
Machine Learning Techniques ◽  
Cancer Development ◽  
Support Vector ◽  
Learning Approaches ◽  
Learning Techniques ◽  
Fact Finding ◽  
Risk Of Cancer

Cancer has been described as a diverse illness with several distinct subtypes that may occur simultaneously. As a result, early detection and forecast of cancer types have graced essentially in cancer fact-finding methods since they may help to improve the clinical treatment of cancer survivors. The significance of categorizing cancer suffers into higher or lower-threat categories has prompted numerous fact-finding associates from the bioscience and genomics field to investigate the utilization of machine learning (ML) algorithms in cancer diagnosis and treatment. Because of this, these methods have been used with the goal of simulating the development and treatment of malignant diseases in humans. Furthermore, the capacity of machine learning techniques to identify important characteristics from complicated datasets demonstrates the significance of these technologies. These technologies include Bayesian networks and artificial neural networks, along with a number of other approaches. Decision Trees and Support Vector Machines which have already been extensively used in cancer research for the creation of predictive models, also lead to accurate decision making. The application of machine learning techniques may undoubtedly enhance our knowledge of cancer development; nevertheless, a sufficient degree of validation is required before these approaches can be considered for use in daily clinical practice. An overview of current machine learning approaches utilized in the simulation of cancer development is presented in this paper. All of the supervised machine learning approaches described here, along with a variety of input characteristics and data samples, are used to build the prediction models. In light of the increasing trend towards the use of machine learning methods in biomedical research, we offer the most current papers that have used these approaches to predict risk of cancer or patient outcomes in order to better understand cancer.

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