Ranking Methods of Candidates for p53 Inhibitors Considering Cytotoxicity Using Machine Learning

Author(s):  
Haruka Motohashi ◽  
Tatsuro Teraoka ◽  
Shin Aoki ◽  
Hayato Ohwada
2019 ◽  
Vol 21 (2) ◽  
pp. 421-428 ◽  
Author(s):  
Alex A Freitas

Abstract An important problem in bioinformatics consists of identifying the most important features (or predictors), among a large number of features in a given classification dataset. This problem is often addressed by using a machine learning–based feature ranking method to identify a small set of top-ranked predictors (i.e. the most relevant features for classification). The large number of studies in this area has, however, an important limitation: they ignore the possibility that the top-ranked predictors occur in an instance of Simpson’s paradox, where the positive or negative association between a predictor and a class variable reverses sign upon conditional on each of the values of a third (confounder) variable. In this work, we review and investigate the role of Simpson’s paradox in the analysis of top-ranked predictors in high-dimensional bioinformatics datasets, in order to avoid the potential danger of misinterpreting an association between a predictor and the class variable. We perform computational experiments using four well-known feature ranking methods from the machine learning field and five high-dimensional datasets of ageing-related genes, where the predictors are Gene Ontology terms. The results show that occurrences of Simpson’s paradox involving top-ranked predictors are much more common for one of the feature ranking methods.


2020 ◽  
Vol 15 ◽  
Author(s):  
Fareed Ahmad ◽  
Amjad Farooq ◽  
Muhammad Usman Ghani Khan ◽  
Muhammad Zubair Shabbir ◽  
Masood Rabbani ◽  
...  

Background: Francisella tularensis is a stealth pathogen fatal for animals and humans. Ease of its propagation, coupled with high capacity for ailment and death makes it a potential candidate for biological weapon. Objective: Work related to the pathogen’s classification and factors affecting its prolonged existence in soil is limited to statistical measures. Machine learning other than conventional analysis methods may be applied to better predict epidemiological modeling for this soil-borne pathogen. Method: Feature-ranking algorithms namely; relief, correlation and oneR are used for soil attribute ranking. Moreover, classification algorithms; SVM, random forest, naive bayes, logistic regression and MLP are used for classification of the soil attribute dataset for Francisella tularensis positive and negative soils. Results: Feature-ranking methods conclude; clay, nitrogen, organic matter, soluble salts, zinc, silt and nickel are the most significant attributes while potassium, phosphorous, iron, calcium, copper, chromium and sand are least contributing risk factors for the persistence of the pathogen. However, clay is the most significant and potassium is the least contributing attribute. Data analysis suggests that feature-ranking using relief produced classification accuracy of 84.35% for multilayer perceptron; 82.99% for linear regression; 80.27% for SVM and random forest; and 78.23% for naive bayes, which is better than other ranking methods. MLP outperforms other classifiers by generating an accuracy of 84.35%,82.99% and 81.63% for feature-ranking using relief, correlation and oneR algorithms, respectively. Conclusion: These models can significantly improve accuracy and can minimize the risk of incorrect classification. They further help in controlling epidemics and thereby minimizing the socio-economic impact on the society.


2020 ◽  
Author(s):  
Derek Reiman ◽  
Ahmed A. Metwally ◽  
Jun Sun ◽  
Yang Dai

AbstractBackgroundThe advance of metagenomic studies provides the opportunity to identify microbial taxa that are associated to human diseases. Multiple methods exist for the association analysis. However, the results could be inconsistent, presenting challenges in interpreting the host-microbiome interactions. To address this issue, we introduce Meta-Signer, a novel Metagenomic Signature Identifier tool based on rank aggregation of features identified from multiple machine learning models including Random Forest, Support Vector Machines, LASSO, Multi-Layer Perceptron Neural Networks, and our recently developed Convolutional Neural Network framework (PopPhy-CNN). Meta-Signer generates ranked taxa lists by training individual machine learning models over multiple training partitions and aggregates them into a single ranked list by an optimization procedure to represent the most informative and robust microbial features. Meta-Signer can rank taxa using two input forms of the data: the relative abundances of the original taxa and taxa from the populated taxonomic trees generated from the original taxa. The latter form allows the evaluation of the association of microbial features at different taxonomic levels to the disease, which is attributed to our novel model of PopPhy-CNN.ResultsWe evaluate Mega-Signer on five different human gut-microbiome datasets. We demonstrate that the features derived from Meta-Signer were more informative compared to those obtained from other available feature ranking methods. The highly ranked features are strongly supported by published literature.ConclusionMeta-Signer is capable of deriving a robust set of microbial features at multiple taxonomic levels for the prediction of host phenotype. Meta-Signer is user-friendly and customizable, allowing users to explore their datasets quickly and efficiently.


2019 ◽  
Vol 3 (4) ◽  
pp. 32-37
Author(s):  

: To detect the irregular trade behaviors in the stock market is the important problem in machine learning field. These irregular trade behaviors are obviously illegal. To detect these irregular trade behaviors in the stock market, data scientists normally employ the supervised learning techniques. In this paper, we employ the three graph Laplacian based semi-supervised ranking methods to solve the irregular trade behavior detection problem. Experimental results show that that the un-normalized and symmetric normalized graph Laplacian based semisupervised ranking methods outperform the random walk Laplacian based semi-supervised ranking method.


2020 ◽  
Vol 43 ◽  
Author(s):  
Myrthe Faber

Abstract Gilead et al. state that abstraction supports mental travel, and that mental travel critically relies on abstraction. I propose an important addition to this theoretical framework, namely that mental travel might also support abstraction. Specifically, I argue that spontaneous mental travel (mind wandering), much like data augmentation in machine learning, provides variability in mental content and context necessary for abstraction.


2020 ◽  
Author(s):  
Mohammed J. Zaki ◽  
Wagner Meira, Jr
Keyword(s):  

2020 ◽  
Author(s):  
Marc Peter Deisenroth ◽  
A. Aldo Faisal ◽  
Cheng Soon Ong
Keyword(s):  

Author(s):  
Lorenza Saitta ◽  
Attilio Giordana ◽  
Antoine Cornuejols

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