scholarly journals Improving the accuracy of the machine learning predictive models for analyzing CHD dataset

2022 ◽  
Keyword(s):  
Machine Learning ◽  
Predictive Models

Epigenetic Target Prediction with Accurate Machine Learning Models

2021 ◽  
Author(s):  
Norberto Sánchez-Cruz ◽  
Jose L. Medina-Franco
Keyword(s):  
Machine Learning ◽  
Small Molecules ◽  
Predictive Models ◽  
Large Scale ◽  
Target Prediction ◽  
Quantitative Measure ◽  
Learning Models ◽  
Discovery Research ◽  
Drug Discovery Research ◽  
Machine Learning Models

<p>Epigenetic targets are a significant focus for drug discovery research, as demonstrated by the eight approved epigenetic drugs for treatment of cancer and the increasing availability of chemogenomic data related to epigenetics. This data represents a large amount of structure-activity relationships that has not been exploited thus far for the development of predictive models to support medicinal chemistry efforts. Herein, we report the first large-scale study of 26318 compounds with a quantitative measure of biological activity for 55 protein targets with epigenetic activity. Through a systematic comparison of machine learning models trained on molecular fingerprints of different design, we built predictive models with high accuracy for the epigenetic target profiling of small molecules. The models were thoroughly validated showing mean precisions up to 0.952 for the epigenetic target prediction task. Our results indicate that the herein reported models have considerable potential to identify small molecules with epigenetic activity. Therefore, our results were implemented as freely accessible and easy-to-use web application.</p>

A comparison of the value of two machine learning predictive models to support bovine tuberculosis disease control in England

2021 ◽  
Vol 188 ◽  
pp. 105264
Author(s):  
M. Pilar Romero ◽  
Yu-Mei Chang ◽  
Lucy A. Brunton ◽  
Alison Prosser ◽  
Paul Upton ◽  
...  
Keyword(s):  
Machine Learning ◽  
Disease Control ◽  
Predictive Models ◽  
Bovine Tuberculosis ◽  
Tuberculosis Disease

scholarly journals Predicting the Appearance of Hypotension During Hemodialysis Sessions Using Machine Learning Classifiers

2021 ◽  
Vol 18 (5) ◽  
pp. 2364
Author(s):  
Juan A. Gómez-Pulido ◽  
José M. Gómez-Pulido ◽  
Diego Rodríguez-Puyol ◽  
María-Luz Polo-Luque ◽  
Miguel Vargas-Lombardo
Keyword(s):  
Machine Learning ◽  
Predictive Models ◽  
Chronic Renal Disease ◽  
Clinical Information ◽  
Healthcare Personnel ◽  
Dialysis Session ◽  
Clinical Parameters ◽  
Machine Learning Classifiers ◽  
Learning Classifiers ◽  
Gender And Age

A patient suffering from advanced chronic renal disease undergoes several dialysis sessions on different dates. Several clinical parameters are monitored during the different hours of any of these sessions. These parameters, together with the information provided by other parameters of analytical nature, can be very useful to determine the probability that a patient may suffer from hypotension during the session, which should be specially watched since it represents a proven factor of possible mortality. However, the analytical information is not always available to the healthcare personnel, or it is far in time, so the clinical parameters monitored during the session become key to the prevention of hypotension. This article presents an investigation to predict the appearance of hypotension during a dialysis session, using predictive models trained from a large dialysis database, which contains the clinical information of 98,015 sessions corresponding to 758 patients. The prediction model takes into account up to 22 clinical parameters measured five times during the session, as well as the gender and age of the patient. This model was trained by means of machine learning classifiers, providing a success in the prediction higher than 80%.

O-203 Application of machine learning to predict aneuploidy and mosaicism in embryos from in vitro fertilization (IVF) cycles

2021 ◽  
Vol 36 (Supplement_1) ◽  
Author(s):  
J A Ortiz ◽  
R Morales ◽  
B Lledo ◽  
E Garcia-Hernandez ◽  
A Cascales ◽  
...  
Keyword(s):  
Machine Learning ◽  
Predictive Model ◽  
Predictive Models ◽  
Maternal Age ◽  
The Other ◽  
Predictor Variables ◽  
Learning Models ◽  
Male Factor ◽  
Factors Associated ◽  
Machine Learning Models

Abstract Study question Is it possible to predict the likelihood of an IVF embryo being aneuploid and/or mosaic using a machine learning algorithm? Summary answer There are paternal, maternal, embryonic and IVF-cycle factors that are associated with embryonic chromosomal status that can be used as predictors in machine learning models. What is known already The factors associated with embryonic aneuploidy have been extensively studied. Mostly maternal age and to a lesser extent male factor and ovarian stimulation have been related to the occurrence of chromosomal alterations in the embryo. On the other hand, the main factors that may increase the incidence of embryo mosaicism have not yet been established. The models obtained using classical statistical methods to predict embryonic aneuploidy and mosaicism are not of high reliability. As an alternative to traditional methods, different machine and deep learning algorithms are being used to generate predictive models in different areas of medicine, including human reproduction. Study design, size, duration The study design is observational and retrospective. A total of 4654 embryos from 1558 PGT-A cycles were included (January-2017 to December-2020). The trophoectoderm biopsies on D5, D6 or D7 blastocysts were analysed by NGS. Embryos with ≤25% aneuploid cells were considered euploid, between 25-50% were classified as mosaic and aneuploid with &gt;50%. The variables of the PGT-A were recorded in a database from which predictive models of embryonic aneuploidy and mosaicism were developed. Participants/materials, setting, methods The main indications for PGT-A were advanced maternal age, abnormal sperm FISH and recurrent miscarriage or implantation failure. Embryo analysis were performed using Veriseq-NGS (Illumina). The software used to carry out all the analysis was R (RStudio). The library used to implement the different algorithms was caret. In the machine learning models, 22 predictor variables were introduced, which can be classified into 4 categories: maternal, paternal, embryonic and those specific to the IVF cycle. Main results and the role of chance The different couple, embryo and stimulation cycle variables were recorded in a database (22 predictor variables). Two different predictive models were performed, one for aneuploidy and the other for mosaicism. The predictor variable was of multi-class type since it included the segmental and whole chromosome alteration categories. The dataframe were first preprocessed and the different classes to be predicted were balanced. A 80% of the data were used for training the model and 20% were reserved for further testing. The classification algorithms applied include multinomial regression, neural networks, support vector machines, neighborhood-based methods, classification trees, gradient boosting, ensemble methods, Bayesian and discriminant analysis-based methods. The algorithms were optimized by minimizing the Log_Loss that measures accuracy but penalizing misclassifications. The best predictive models were achieved with the XG-Boost and random forest algorithms. The AUC of the predictive model for aneuploidy was 80.8% (Log_Loss 1.028) and for mosaicism 84.1% (Log_Loss: 0.929). The best predictor variables of the models were maternal age, embryo quality, day of biopsy and whether or not the couple had a history of pregnancies with chromosomopathies. The male factor only played a relevant role in the mosaicism model but not in the aneuploidy model. Limitations, reasons for caution Although the predictive models obtained can be very useful to know the probabilities of achieving euploid embryos in an IVF cycle, increasing the sample size and including additional variables could improve the models and thus increase their predictive capacity. Wider implications of the findings Machine learning can be a very useful tool in reproductive medicine since it can allow the determination of factors associated with embryonic aneuploidies and mosaicism in order to establish a predictive model for both. To identify couples at risk of embryo aneuploidy/mosaicism could benefit them of the use of PGT-A. Trial registration number Not Applicable

Machine Learning Predictive Models to Estimate the Minimum Miscibility Pressure of CO2-Oil System

2021 ◽  
Author(s):  
Abderraouf Chemmakh ◽  
Ahmed Merzoug ◽  
Habib Ouadi ◽  
Abdelhak Ladmia ◽  
Vamegh Rasouli
Keyword(s):  
Machine Learning ◽  
Predictive Models ◽  
Critical Parameters ◽  
Co2 Injection ◽  
Learning Models ◽  
Minimum Miscibility Pressure ◽  
Reservoir Conditions ◽  
Important Amount ◽  
Machine Learning Models

Abstract One of the most critical parameters of the CO2 injection (for EOR purposes) is the Minimum Miscibility Pressure MMP. The determination of this parameter is crucial for the success of the operation. Different experimental, analytical, and statistical technics are used to predict the MMP. Nevertheless, experimental technics are costly and tedious, while correlations are used for specific reservoir conditions. Based on that, the purpose of this paper is to build machine learning models aiming to predict the MMP efficiently and in broad-based reservoir conditions. Two ML models are proposed for both pure CO2 and non-pure CO2 injection. An important amount of data collected from literature is used in this work. The ANN and SVR-GA models have shown enhanced performance comparing to existing correlations in literature for both the pure and non-pure models, with a coefficient of R2 0.98, 0.93 and 0.96, 0.93 respectively, which confirms that the proposed models are reliable and ready to use.

The Role of Machine Learning in Centralized Authorization Process of Nanomedicines in European Union

2021 ◽  
Vol 21 ◽  
Author(s):  
Ricardo Santana ◽  
Enrique Onieva ◽  
Robin Zuluaga ◽  
Aliuska Duardo-Sánchez ◽  
Piedad Gañán
Keyword(s):  
Machine Learning ◽  
European Union ◽  
Scientific Knowledge ◽  
Predictive Models ◽  
Physicochemical Characteristics ◽  
Success Rates ◽  
European Regulation ◽  
European Public ◽  
European Public Assessment Report

Background: Machine Learning (ML) has experienced an increasing use given the possibilities to expand the scientific knowledge of different disciplines, such as nanotechnology. This has allowed the creation of Cheminformatic models, capable of predicting biological activity and physicochemical characteristics of new components with high success rates in training and test partitions. Given the current gaps of scientific knowledge and the need of efficient application of medicines products law, this paper analyzes the position of regulators for marketing medicinal nanoproducts in European Union and the role of ML in the authorization process. Methods: In terms of methodology, a dogmatic study of the European regulation and the guidances of the European Medicine Agency on the use of predictive models for nanomaterials was carried out. The study has, as the framework of reference, the European Regulation 726/2004 and has focused on the analysis of how ML processes are contemplated in the regulations. Results: As result, we present a discussion of the information that must be provided for every case for simulation methods. The results show a favorable and flexible position for the development of the use of predictive models to complement the applicant's information. Conclusion: It is concluded that Machine Learning has the capacity to help to improve the application of nanotechnology medicine products regulation. Future regulations should promote this kind of information given the advanced state of art in terms of algorithms that are able to build accurate predictive models. This especially applies to methods such as Perturbation Theory Machine Learning (PTML), given that it is aligned with principles promoted by the standards of Organization for Economic Co-operation and Development (OECD), European Union regulations and European Authority Medicine. To our best knowledge this is the first study focused on nanotechnology medicine products and machine learning use to support technical European public assessment report (EPAR) for complementary information.

scholarly journals Detection of Diabetic Patterns using Supervised Learning

2019 ◽  
Vol 9 (2) ◽  
pp. 1169-1173
Keyword(s):  
Machine Learning ◽  
Predictive Models ◽  
Learning Algorithms ◽  
Machine Learning Algorithms ◽  
Supervised Machine Learning ◽  
World Health ◽  
Performance Parameters ◽  
Major Health ◽  
Major Increase ◽  
Boosted Tree

World Health Organization’s (WHO) report 2018, on diabetes has reported that the number of diabetic cases has increased from one hundred eight million to four hundred twenty-two million from the year 1980. The fact sheet shows that there is a major increase in diabetic cases from 4.7% to 8.5% among adults (18 years of age). Major health hazards caused due to diabetes include kidney function failure, heart disease, blindness, stroke, and lower limb dismembering. This article applies supervised machine learning algorithms on the Pima Indian Diabetic dataset to explore various patterns of risks involved using predictive models. Predictive model construction is based upon supervised machine learning algorithms: Naïve Bayes, Decision Tree, Random Forest, Gradient Boosted Tree, and Tree Ensemble. Further, the analytical patterns about these predictive models have been presented based on various performance parameters which include accuracy, precision, recall, and F-measure.

scholarly journals Comparison of Resampling Algorithms to Address Class Imbalance when Developing Machine Learning Models to Predict Foodborne Pathogen Presence in Agricultural Water

2021 ◽  
Vol 9 ◽  
Author(s):  
Daniel Lowell Weller ◽  
Tanzy M. T. Love ◽  
Martin Wiedmann
Keyword(s):  
Machine Learning ◽  
Random Forest ◽  
Predictive Models ◽  
Training Data ◽  
Agricultural Water ◽  
Learning Models ◽  
Safety Hazards ◽  
E Coli ◽  
Resampling Method ◽  
Machine Learning Models

Recent studies have shown that predictive models can supplement or provide alternatives to E. coli-testing for assessing the potential presence of food safety hazards in water used for produce production. However, these studies used balanced training data and focused on enteric pathogens. As such, research is needed to determine 1) if predictive models can be used to assess Listeria contamination of agricultural water, and 2) how resampling (to deal with imbalanced data) affects performance of these models. To address these knowledge gaps, this study developed models that predict nonpathogenic Listeria spp. (excluding L. monocytogenes) and L. monocytogenes presence in agricultural water using various combinations of learner (e.g., random forest, regression), feature type, and resampling method (none, oversampling, SMOTE). Four feature types were used in model training: microbial, physicochemical, spatial, and weather. “Full models” were trained using all four feature types, while “nested models” used between one and three types. In total, 45 full (15 learners*3 resampling approaches) and 108 nested (5 learners*9 feature sets*3 resampling approaches) models were trained per outcome. Model performance was compared against baseline models where E. coli concentration was the sole predictor. Overall, the machine learning models outperformed the baseline E. coli models, with random forests outperforming models built using other learners (e.g., rule-based learners). Resampling produced more accurate models than not resampling, with SMOTE models outperforming, on average, oversampling models. Regardless of resampling method, spatial and physicochemical water quality features drove accurate predictions for the nonpathogenic Listeria spp. and L. monocytogenes models, respectively. Overall, these findings 1) illustrate the need for alternatives to existing E. coli-based monitoring programs for assessing agricultural water for the presence of potential food safety hazards, and 2) suggest that predictive models may be one such alternative. Moreover, these findings provide a conceptual framework for how such models can be developed in the future with the ultimate aim of developing models that can be integrated into on-farm risk management programs. For example, future studies should consider using random forest learners, SMOTE resampling, and spatial features to develop models to predict the presence of foodborne pathogens, such as L. monocytogenes, in agricultural water when the training data is imbalanced.

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