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1.
Front Endocrinol (Lausanne) ; 15: 1385167, 2024.
Article in English | MEDLINE | ID: mdl-38948526

ABSTRACT

Background: Thyroid nodules, increasingly prevalent globally, pose a risk of malignant transformation. Early screening is crucial for management, yet current models focus mainly on ultrasound features. This study explores machine learning for screening using demographic and biochemical indicators. Methods: Analyzing data from 6,102 individuals and 61 variables, we identified 17 key variables to construct models using six machine learning classifiers: Logistic Regression, SVM, Multilayer Perceptron, Random Forest, XGBoost, and LightGBM. Performance was evaluated by accuracy, precision, recall, F1 score, specificity, kappa statistic, and AUC, with internal and external validations assessing generalizability. Shapley values determined feature importance, and Decision Curve Analysis evaluated clinical benefits. Results: Random Forest showed the highest internal validation accuracy (78.3%) and AUC (89.1%). LightGBM demonstrated robust external validation performance. Key factors included age, gender, and urinary iodine levels, with significant clinical benefits at various thresholds. Clinical benefits were observed across various risk thresholds, particularly in ensemble models. Conclusion: Machine learning, particularly ensemble methods, accurately predicts thyroid nodule presence using demographic and biochemical data. This cost-effective strategy offers valuable insights for thyroid health management, aiding in early detection and potentially improving clinical outcomes. These findings enhance our understanding of the key predictors of thyroid nodules and underscore the potential of machine learning in public health applications for early disease screening and prevention.


Subject(s)
Machine Learning , Thyroid Nodule , Thyroid Nodule/diagnosis , Thyroid Nodule/epidemiology , Thyroid Nodule/diagnostic imaging , Humans , Female , Male , China/epidemiology , Cross-Sectional Studies , Middle Aged , Adult , Early Detection of Cancer/methods , Aged , Mass Screening/methods , Ultrasonography/methods
2.
Methods Mol Biol ; 2780: 303-325, 2024.
Article in English | MEDLINE | ID: mdl-38987475

ABSTRACT

Antibodies are a class of proteins that recognize and neutralize pathogens by binding to their antigens. They are the most significant category of biopharmaceuticals for both diagnostic and therapeutic applications. Understanding how antibodies interact with their antigens plays a fundamental role in drug and vaccine design and helps to comprise the complex antigen binding mechanisms. Computational methods for predicting interaction sites of antibody-antigen are of great value due to the overall cost of experimental methods. Machine learning methods and deep learning techniques obtained promising results.In this work, we predict antibody interaction interface sites by applying HSS-PPI, a hybrid method defined to predict the interface sites of general proteins. The approach abstracts the proteins in terms of hierarchical representation and uses a graph convolutional network to classify the amino acids between interface and non-interface. Moreover, we also equipped the amino acids with different sets of physicochemical features together with structural ones to describe the residues. Analyzing the results, we observe that the structural features play a fundamental role in the amino acid descriptions. We compare the obtained performances, evaluated using standard metrics, with the ones obtained with SVM with 3D Zernike descriptors, Parapred, Paratome, and Antibody i-Patch.


Subject(s)
Computational Biology , Computational Biology/methods , Antigens/immunology , Binding Sites, Antibody , Antibodies/immunology , Antibodies/chemistry , Humans , Antigen-Antibody Complex/chemistry , Antigen-Antibody Complex/immunology , Protein Binding , Machine Learning , Databases, Protein , Algorithms
3.
Accid Anal Prev ; 205: 107681, 2024 Sep.
Article in English | MEDLINE | ID: mdl-38897142

ABSTRACT

Lane change behavior disrupts traffic flow and increases the potential for traffic conflicts, especially on expressway weaving segments. Focusing on the diversion process, this study incorporating individual driving patterns into conflict prediction and causation analysis can help develop individualized intervention measures to avoid risky diversion behaviors. First, to minimize measurement errors, this study introduces a lane line reconstruction method. Second, several unsupervised clustering methods, including k-means, agglomerative clustering, gaussian mixture, and spectral clustering, are applied to explore diversion patterns. Moreover, machine learning methods, including Convolutional Neural Networks (CNN), Long Short-Term Memory (LSTM), Attention-based LSTM, eXtreme Gradient Boosting (XGB), Support Vector Machine (SVM), and Multilayer Perceptron (MLP), are employed for real-time traffic conflict prediction. Finally, mixed logit models are developed using pre-conflict condition data to investigate the causal mechanisms of traffic conflicts. The results indicate that the K-means algorithm with four clusters exhibits the highest Calinski-Harabasz and Silhouette scores and the lowest Davies-Bouldin scores. With superior classification accuracy and generalization ability, the LSTM is used to develop the personalized traffic conflict prediction model. Sensitivity analysis indicates that incorporating the diversion patterns into the LSTM model results in an improvement of 3.64% in Accuracy, 7.15% in Precision, and 1.34% in Recall. Results from the four mixed logit models indicate significant differences in factors contributing to traffic conflicts within each diversion pattern. For instance, increasing the speed difference between the target vehicle and the right preceding vehicle benefits traffic conflict during acceleration diversions but decreases the likelihood of traffic conflicts during deceleration diversions. These results can help traffic engineers propose individualized solutions to reduce unsafe diversion behavior.


Subject(s)
Automobile Driving , Humans , Neural Networks, Computer , Machine Learning , Cluster Analysis , Algorithms , Environment Design , Support Vector Machine , Accidents, Traffic/prevention & control , Logistic Models
4.
BMC Med Educ ; 24(1): 645, 2024 Jun 08.
Article in English | MEDLINE | ID: mdl-38851725

ABSTRACT

BACKGROUND: Interprofessional education is vital in oral healthcare education and should be integrated into both theoretical and work-based education. Little research addresses interprofessional education in dental hands-on training in authentic oral healthcare settings. The aim of the study was to examine the readiness and attitudes of dental and oral hygiene students towards interprofessional education during joint paediatric outreach training. METHODS: In the spring of 2022, a cross-sectional study was done involving dental and oral hygiene students using the Readiness for Interprofessional Learning Scale (RIPLS) during joint paediatric outreach training. The 19-item tool was answered on a five-point Likert scale (1 = strongly disagree, 2 = disagree, 3 = neutral, 4 = agree, and 5 = strongly agree). Means, standard deviations, minimums, maximums, and medians were calculated for each subscale and overall score. Students grouped according to their categorical variables were compared for statistically significant differences. The Mann-Whitney U-test was used for groups of two and the Kruskal-Wallis one-way analysis for groups of three or more. The internal consistency of the scale was measured with Cronbach's alpha. Statistical level was set at 0.05. RESULTS: The survey included 111 participants, consisting of 51 oral hygiene students and 60 dental students, with a response rate of 93%. The questionnaire yielded a high overall mean score of 4.2. Both oral hygiene (4.3) and dental students (4.2) displayed strong readiness for interprofessional education measured by the RIPLS. The subscale of teamwork and collaboration achieved the highest score of 4.5. Students lacking prior healthcare education or work experience obtained higher RIPLS scores. Oral hygiene students rated overall items (p = 0.019) and the subscales of positive professional identity (p = < 0.001) and roles and responsibilities (p = 0.038) higher than dental students. The Cronbach's alpha represented high internal consistency for overall RIPLS scores on the scale (0.812). CONCLUSIONS: Both oral hygiene and dental students perceived shared learning as beneficial and showcased high readiness for interprofessional education, as evident in their RIPLS scores. Integrating interprofessional learning into oral hygiene and dental curricula is important. Studying together can form a good basis for future working life collaboration.


Subject(s)
Attitude of Health Personnel , Interprofessional Relations , Students, Dental , Humans , Cross-Sectional Studies , Male , Female , Students, Dental/psychology , Interprofessional Education , Oral Hygiene/education , Surveys and Questionnaires , Education, Dental/methods , Pediatrics/education , Dental Hygienists/education , Adult
5.
J Comput Chem ; 2024 Jun 24.
Article in English | MEDLINE | ID: mdl-38923574

ABSTRACT

The evaluation of oxidation and reduction potentials is a pivotal task in various chemical fields. However, their accurate prediction by theoretical computations, which is a complementary task and sometimes the only alternative to experimental measurement, may be often resource-intensive and time-consuming. This paper addresses this challenge through the application of machine learning techniques, with a particular focus on graph-based methods (such as graph edit distances, graph kernels, and graph neural networks) that are reviewed to enlighten their deep links with theoretical chemistry. To this aim, we establish the ORedOx159 database, a comprehensive, homogeneous (with reference values stemming from density functional theory calculations), and reliable resource containing 318 one-electron reduction and oxidation reactions and featuring 159 large organic compounds. Subsequently, we provide an instructive overview of the good practice in machine learning and of commonly utilized machine learning models. We then assess their predictive performances on the ORedOx159 dataset through extensive analyses. Our simulations using descriptors that are computed in an almost instantaneous way result in a notable improvement in prediction accuracy, with mean absolute error (MAE) values equal to 5.6 kcal mol - 1 $$ {}^{-1} $$ for reduction and 7.2 kcal mol - 1 $$ {}^{-1} $$ for oxidation potentials, which paves a way toward efficient in silico design of new electrochemical systems.

6.
Heliyon ; 10(11): e31853, 2024 Jun 15.
Article in English | MEDLINE | ID: mdl-38868049

ABSTRACT

Background: This study aims to explore the microtubule-associated gene signatures and molecular processes shared by osteonecrosis of the femoral head (ONFH) and osteosarcoma (OS). Methods: Datasets from the TARGET and GEO databases were subjected to bioinformatics analysis, including the functional enrichment analysis of genes shared by ONFH and OS. Prognostic genes were identified using univariate and multivariate Cox regression analyses to develop a risk score model for predicting overall survival and immune characteristics. Furthermore, LASSO and SVM-RFE algorithms identified biomarkers for ONFH, which were validated in OS. Function prediction, ceRNA network analysis, and gene-drug interaction network construction were subsequently conducted. Biomarker expression was then validated on clinical samples by using qPCR. Results: A total of 14 microtubule-associated disease genes were detected in ONFH and OS. Subsequently, risk score model based on four genes was then created, revealing that patients with low-risk exhibited superior survival outcomes compared with those with high-risk. Notably, ONFH with low-risk profiles may manifest an antitumor immune microenvironment. Moreover, by utilizing LASSO and SVM-RFE algorithms, four diagnostic biomarkers were pinpointed, enabling effective discrimination between patients with ONFH and healthy individuals as well as between OS and normal tissues. Additionally, 21 drugs targeting these biomarkers were predicted, and a comprehensive ceRNA network comprising four mRNAs, 71 miRNAs, and 98 lncRNAs was established. The validation of biomarker expression in clinical samples through qPCR affirmed consistency with the results of bioinformatics analysis. Conclusion: Microtubule-associated genes may play pivotal roles in OS and ONFH. Additionally, a prognostic model was constructed, and four genes were identified as potential biomarkers and therapeutic targets for both diseases.

7.
J Crit Care ; 83: 154815, 2024 May 08.
Article in English | MEDLINE | ID: mdl-38723336

ABSTRACT

PURPOSE: This study investigates the potential of machine learning (ML) algorithms in improving sepsis diagnosis and prediction, focusing on their relevance in healthcare decision-making. The primary objective is to contribute to healthcare decision-making by evaluating the performance of various supervised and unsupervised models. MATERIALS AND METHODS: Through an extensive literature review, optimal ML models used in sepsis research were identified. Diverse datasets from relevant sources were employed, and rigorous evaluation metrics, including accuracy, specificity, and sensitivity, were applied. Innovative techniques were introduced, such as a Stacked Blended Ensemble Model and Skopt Optimization with Blended Ensemble, incorporating Bayesian optimization for hyperparameter tuning. RESULTS: ML algorithms demonstrate efficacy in sepsis diagnosis, presenting an improved balance between specificity and sensitivity, critical for effective clinical decision-making. Classifier ensemble models show enhanced accuracy and efficiency, with novel optimization techniques contributing to improved adaptability. CONCLUSION: The study emphasizes the potential benefits of ML algorithms in sepsis management, advocating for ongoing research to optimize performance and ensure ethical utilization in healthcare decision-making. Ethical considerations, interpretability, and transparency are crucial factors in implementing these algorithms in clinical practice.

8.
Int J Biometeorol ; 2024 May 28.
Article in English | MEDLINE | ID: mdl-38805068

ABSTRACT

Timely prediction of pathogen is important key factor to reduce the quality and yield losses. Wheat is major crop in northern part of India. In Punjab, wheat face challenge by different diseases so the study was conducted for two locations viz. Ludhiana and Bathinda. The information regarding the occurrence of Karnal bunt in 12 consecutive crop seasons (from 2009-10 to 2020-21) in Ludhiana district and in 9 crop seasons (from 2010-11 to 2018-19) in Bathinda district, was collected from the Wheat Section of the Department of Plant Breeding and Genetics at Punjab Agricultural University (PAU), located in Ludhiana. The study aims to investigate the adequacy of various methods of machine learning for prediction of Karnal bunt using meteorological data for different time period viz. February, March, 15 February to 15 March and overall period obtained from Department of Climate Change and Agricultural Meteorology, PAU, Ludhiana. The most intriguing outcome is that for each period, different disease prediction models performed well. The random forest regression (RF) for February month, support vector regression (SVR) for March month, SVR and BLASSO for 15 February to 15 March period and random forest for overall period surpassed the performance than other models. The Taylor diagram was created to assess the effectiveness of intricate models by comparing various metrics such as root mean square error (RMSE), root relative square error (RRSE), correlation coefficient (r), relative mean absolute error (MAE), modified D-index, and modified NSE. It allows for a comprehensive evaluation of these models' performance.

9.
Int J Inj Contr Saf Promot ; : 1-17, 2024 May 20.
Article in English | MEDLINE | ID: mdl-38768184

ABSTRACT

Machine learning (ML) models are widely employed for crash severity modelling, yet their interpretability remains underexplored. Interpretation is crucial for comprehending ML results and aiding informed decision-making. This study aims to implement an interpretable ML to visualize the impacts of factors on crash severity using 5 years of freeways data from Iran. Methods including classification and regression trees (CART), K-nearest neighbours (KNNs), random forest (RF), artificial neural network (ANN) and support vector machines (SVM) were applied, with RF demonstrating superior accuracy, recall, F1-score and ROC. The accumulated local effects (ALE) were utilized for interpretation. Findings suggest that light traffic conditions (volume/capacity<0.5) with critical values around 0.05 or 0.38, and higher proportion of large trucks and buses, particularly at 10% and 4%, are associated with severe crashes. Additionally, speeds exceeding 90 km/h, drivers younger than 30 years, rollover crashes, collisions with fixed objects and barriers, nighttime driving and driver fatigue elevate the likelihood of severe crashes.

10.
Talanta ; 276: 126248, 2024 Aug 15.
Article in English | MEDLINE | ID: mdl-38776770

ABSTRACT

Antifungal medications are important due to their potential application in cancer treatment either on their own or with traditional treatments. The mechanisms that prevent the effects of these medications and restrict their usage in cancer treatment are not completely understood. The evaluation and discrimination of the possible protective effects of the anti-apoptotic members of the Bcl-2 family of proteins, critical regulators of mitochondrial apoptosis, against antifungal drug-induced cell death has still scientific uncertainties that must be considered. Novel, simple, and reliable strategies are highly demanded to identify the biochemical signature of this phenomenon. However, the complex nature of cells poses challenges for the analysis of cellular biochemical changes or classification. In this study, for the first time, we investigated the probable protective activities of Bcl-2 and Mcl-1 proteins against cell damage induced by ketoconazole (KET) and fluconazole (FLU) antifungal drugs in a yeast model through surface-enhanced Raman spectroscopy (SERS) approach. The proposed SERS platform created robust Raman spectra with a high signal-to-noise ratio. The analysis of SERS spectral data via advanced unsupervised and supervised machine learning methods enabled unquestionable differentiation (100 %) in samples and biomolecular identification. Various SERS bands related to lipids and proteins observed in the analyses suggest that the expression of these anti-apoptotic proteins reduces oxidative biomolecule damage induced by the antifungals. Also, cell viability assay, Annexin V-FITC/PI double staining, and total oxidant and antioxidant status analyses were performed to support Raman measurements. We strongly believe that the proposed approach paves the way for the evaluation of various biochemical structures/changes in various cells.


Subject(s)
Antifungal Agents , Fluconazole , Ketoconazole , Myeloid Cell Leukemia Sequence 1 Protein , Proto-Oncogene Proteins c-bcl-2 , Saccharomyces cerevisiae , Spectrum Analysis, Raman , Ketoconazole/pharmacology , Antifungal Agents/pharmacology , Spectrum Analysis, Raman/methods , Fluconazole/pharmacology , Saccharomyces cerevisiae/drug effects , Proto-Oncogene Proteins c-bcl-2/metabolism , Myeloid Cell Leukemia Sequence 1 Protein/metabolism , Myeloid Cell Leukemia Sequence 1 Protein/analysis , Machine Learning
11.
Cell Rep Methods ; 4(6): 100781, 2024 Jun 17.
Article in English | MEDLINE | ID: mdl-38761803

ABSTRACT

We present an innovative strategy for integrating whole-genome-wide multi-omics data, which facilitates adaptive amalgamation by leveraging hidden layer features derived from high-dimensional omics data through a multi-task encoder. Empirical evaluations on eight benchmark cancer datasets substantiated that our proposed framework outstripped the comparative algorithms in cancer subtyping, delivering superior subtyping outcomes. Building upon these subtyping results, we establish a robust pipeline for identifying whole-genome-wide biomarkers, unearthing 195 significant biomarkers. Furthermore, we conduct an exhaustive analysis to assess the importance of each omic and non-coding region features at the whole-genome-wide level during cancer subtyping. Our investigation shows that both omics and non-coding region features substantially impact cancer development and survival prognosis. This study emphasizes the potential and practical implications of integrating genome-wide data in cancer research, demonstrating the potency of comprehensive genomic characterization. Additionally, our findings offer insightful perspectives for multi-omics analysis employing deep learning methodologies.


Subject(s)
Biomarkers, Tumor , Genomics , Neoplasms , Humans , Neoplasms/genetics , Neoplasms/classification , Genomics/methods , Biomarkers, Tumor/genetics , Algorithms , Prognosis , Genome-Wide Association Study/methods , Computational Biology/methods , Genome, Human/genetics , Multiomics
12.
Heliyon ; 10(8): e28099, 2024 Apr 30.
Article in English | MEDLINE | ID: mdl-38665552

ABSTRACT

The Nouhätä! safety education programme has been organised in secondary schools in Finland for over 25 years. However, to date, it has not been systematically evaluated. The purpose of this quantitative survey is to provide information about good practices, benefits and limitations of the NouHätä! Programme; this has been done by answering the research question what variables explain pupils' safety competence after participating in a NouHätä! safety education programme? The results show that the best learning outcomes in safety education are achieved when training is organised in collaboration with teachers and safety experts. Practical training also seems to have a significant impact on the safety competence of pupils. The results suggest that background variables like school success and the sources of safety knowledge affect the level of pupils' safety competence. The results of the study can be used to develop the programme and other safety education programmes for children and young people.

13.
Pediatr Allergy Immunol ; 35(4): e14116, 2024 Apr.
Article in English | MEDLINE | ID: mdl-38581158

ABSTRACT

BACKGROUND: Pediatricians are often the first point of contact for children in Primary Care (PC), but still perceive gaps in their allergy knowledge. We investigated self-perceived knowledge gaps and educational needs in pediatricians across healthcare systems in Europe so that future educational initiatives may better support the delivery of allergy services in PC. METHOD: A multinational survey was circulated to pediatricians who care for children and adolescents with allergy problems in PC by the EAACI Allergy Educational Needs in Primary Care Pediatricians Task Force from February to March 2023. A 5-point Likert scale was used to assess the level of agreement with questionnaire statements. Thirty surveys per country were the cut-off for inclusion and statistical analysis. RESULTS: In this study, 1991 respondents were obtained from 56 countries across Europe and 210 responses were from countries with a cut-off below 30 participants per country. Primary care pediatricians (PCPs) comprised 74.4% of the respondents. The majority (65.3%) were contracted to state or district health services. 61.7% had awareness of guidelines for onward allergy referral in their countries but only 22.3% were aware of the EAACI competencies document for allied health professionals for allergy. Total sample respondents versus PCPs showed 52% and 47% of them have access to allergy investigations in their PC facility (mainly specific IgE and skin prick tests); 67.6% and 58.9% have access to immunotherapy, respectively. The main barrier to referral to a specialist was a consideration that the patient's condition could be diagnosed and treated in this PC facility, (57.8% and 63.6% respectively). The main reasons for referral were the need for hospital assessment, and partial response to first-line treatment (55.4% and 59.2%, 47% and 50.7%, respectively). Learning and assessment methods preference was fairly equally divided between Traditional methods (45.7% and 50.1% respectively) and e-learning 45.5% and 44.9%, respectively. Generalist physicians (GPs) have the poorest access to allergy investigations (32.7%, p = .000). The majority of the total sample (91.9%) assess patients with allergic pathology. 868 (43.6%) and 1117 (46.1%), received allergy training as undergraduates and postgraduates respectively [these proportions in PCPs were higher (45% and 59%), respectively]. PCPs with a special interest in allergology experienced greater exposure to allergy teaching as postgraduates. GPs received the largest amount of allergy teaching as undergraduates. Identifying allergic disease based on clinical presentation, respondents felt most confident in the management of eczema/atopic dermatitis (87.4%) and rhinitis/asthma (86.2%), and least confident in allergen immunotherapy (36.9%) and latex allergy (30.8%). CONCLUSION: This study exploring the confidence of PCPs to diagnose, manage, and refer patients with allergies, demonstrated knowledge gaps and educational needs for allergy clinical practice. It detects areas in need of urgent improvement especially in latex and allergen immunotherapy. It is important to ensure the dissemination of allergy guidelines and supporting EAACI documents since the majority of PCPs lack awareness of them. This survey has enabled us to identify what the educational priorities of PCPs are and how they would like to have them met.


Subject(s)
Hypersensitivity , Child , Adolescent , Humans , Surveys and Questionnaires , Delivery of Health Care , Pediatricians , Primary Health Care
14.
Sci Rep ; 14(1): 6458, 2024 Mar 18.
Article in English | MEDLINE | ID: mdl-38499630

ABSTRACT

In recent years, deep learning methods have been widely used in combination with control charts to improve the monitoring efficiency of complete data. However, due to time and cost constraints, data obtained from reliability life tests are often type-I right censored. Traditional control charts become inefficient for monitoring this type of data. Thus, researchers have proposed various control charts with conditional expected values (CEV) or conditional median (CM) to improve efficiency for right-censored data under normal and non-normal conditions. This study combines the exponentially weighted moving average (EWMA) CEV and CM chart with deep learning methods to increase efficiency for gamma type-I right-censored data. A statistical simulation and a real-world case are presented to assess the proposed method, which outperforms the traditional EWMA charts with CEV and CM in various skewness coefficient values and censoring rates for gamma type-I right-censored data.

15.
Front Plant Sci ; 15: 1356260, 2024.
Article in English | MEDLINE | ID: mdl-38545388

ABSTRACT

Accurate and rapid plant disease detection is critical for enhancing long-term agricultural yield. Disease infection poses the most significant challenge in crop production, potentially leading to economic losses. Viruses, fungi, bacteria, and other infectious organisms can affect numerous plant parts, including roots, stems, and leaves. Traditional techniques for plant disease detection are time-consuming, require expertise, and are resource-intensive. Therefore, automated leaf disease diagnosis using artificial intelligence (AI) with Internet of Things (IoT) sensors methodologies are considered for the analysis and detection. This research examines four crop diseases: tomato, chilli, potato, and cucumber. It also highlights the most prevalent diseases and infections in these four types of vegetables, along with their symptoms. This review provides detailed predetermined steps to predict plant diseases using AI. Predetermined steps include image acquisition, preprocessing, segmentation, feature selection, and classification. Machine learning (ML) and deep understanding (DL) detection models are discussed. A comprehensive examination of various existing ML and DL-based studies to detect the disease of the following four crops is discussed, including the datasets used to evaluate these studies. We also provided the list of plant disease detection datasets. Finally, different ML and DL application problems are identified and discussed, along with future research prospects, by combining AI with IoT platforms like smart drones for field-based disease detection and monitoring. This work will help other practitioners in surveying different plant disease detection strategies and the limits of present systems.

16.
J Mol Biol ; : 168552, 2024 Mar 27.
Article in English | MEDLINE | ID: mdl-38552946

ABSTRACT

With advances in protein structure prediction thanks to deep learning models like AlphaFold, RNA structure prediction has recently received increased attention from deep learning researchers. RNAs introduce substantial challenges due to the sparser availability and lower structural diversity of the experimentally resolved RNA structures in comparison to protein structures. These challenges are often poorly addressed by the existing literature, many of which report inflated performance due to using training and testing sets with significant structural overlap. Further, the most recent Critical Assessment of Structure Prediction (CASP15) has shown that deep learning models for RNA structure are currently outperformed by traditional methods. In this paper we present RNA3DB, a dataset of structured RNAs, derived from the Protein Data Bank (PDB), that is designed for training and benchmarking deep learning models. The RNA3DB method arranges the RNA 3D chains into distinct groups (Components) that are non-redundant both with regard to sequence as well as structure, providing a robust way of dividing training, validation, and testing sets. Any split of these structurally-dissimilar Components are guaranteed to produce test and validations sets that are distinct by sequence and structure from those in the training set. We provide the RNA3DB dataset, a particular train/test split of the RNA3DB Components (in an approximate 70/30 ratio) that will be updated periodically. We also provide the RNA3DB methodology along with the source-code, with the goal of creating a reproducible and customizable tool for producing structurally-dissimilar dataset splits for structural RNAs.

17.
Front Immunol ; 15: 1285785, 2024.
Article in English | MEDLINE | ID: mdl-38433833

ABSTRACT

Introduction: Enteric infections are a major cause of under-5 (age) mortality in low/middle-income countries. Although vaccines against these infections have already been licensed, unwavering efforts are required to boost suboptimalefficacy and effectiveness in regions that are highly endemic to enteric pathogens. The role of baseline immunological profiles in influencing vaccine-induced immune responses is increasingly becoming clearer for several vaccines. Hence, for the development of advanced and region-specific enteric vaccines, insights into differences in immune responses to perturbations in endemic and non-endemic settings become crucial. Materials and methods: For this reason, we employed a two-tiered system and computational pipeline (i) to study the variations in differentially expressed genes (DEGs) associated with immune responses to enteric infections in endemic and non-endemic study groups, and (ii) to derive features (genes) of importance that keenly distinguish between these two groups using unsupervised machine learning algorithms on an aggregated gene expression dataset. The derived genes were further curated using topological analysis of the constructed STRING networks. The findings from these two tiers are validated using multilayer perceptron classifier and were further explored using correlation and regression analysis for the retrieval of associated gene regulatory modules. Results: Our analysis reveals aggressive suppression of GRB-2, an adaptor molecule integral for TCR signaling, as a primary immunomodulatory response against S. typhi infection in endemic settings. Moreover, using retrieved correlation modules and multivariant regression models, we found a positive association between regulators of activated T cells and mediators of Hedgehog signaling in the endemic population, which indicates the initiation of an effector (involving differentiation and homing) rather than an inductive response upon infection. On further exploration, we found STAT3 to be instrumental in designating T-cell functions upon early responses to enteric infections in endemic settings. Conclusion: Overall, through a systems and computational biology approach, we characterized distinct molecular players involved in immune responses to enteric infections in endemic settings in the process, contributing to the mounting evidence of endemicity being a major determiner of pathogen/vaccine-induced immune responses. The gained insights will have important implications in the design and development of region/endemicity-specific vaccines.


Subject(s)
Hedgehog Proteins , Vaccines , Immunomodulation , Immunity , Gene Expression
18.
Front Plant Sci ; 15: 1324090, 2024.
Article in English | MEDLINE | ID: mdl-38504889

ABSTRACT

In the field of plant breeding, various machine learning models have been developed and studied to evaluate the genomic prediction (GP) accuracy of unseen phenotypes. Deep learning has shown promise. However, most studies on deep learning in plant breeding have been limited to small datasets, and only a few have explored its application in moderate-sized datasets. In this study, we aimed to address this limitation by utilizing a moderately large dataset. We examined the performance of a deep learning (DL) model and compared it with the widely used and powerful best linear unbiased prediction (GBLUP) model. The goal was to assess the GP accuracy in the context of a five-fold cross-validation strategy and when predicting complete environments using the DL model. The results revealed the DL model outperformed the GBLUP model in terms of GP accuracy for two out of the five included traits in the five-fold cross-validation strategy, with similar results in the other traits. This indicates the superiority of the DL model in predicting these specific traits. Furthermore, when predicting complete environments using the leave-one-environment-out (LOEO) approach, the DL model demonstrated competitive performance. It is worth noting that the DL model employed in this study extends a previously proposed multi-modal DL model, which had been primarily applied to image data but with small datasets. By utilizing a moderately large dataset, we were able to evaluate the performance and potential of the DL model in a context with more information and challenging scenario in plant breeding.

19.
Health Sci Rep ; 7(2): e1765, 2024 Feb.
Article in English | MEDLINE | ID: mdl-38299206

ABSTRACT

Background and aims: Medical education requires regular reforms to include emerging best practices and technologies, while also critically evaluating effectiveness of traditional didactic teaching methods. This manuscript examines the challenges and opportunities associated with modernizing the anesthesiology curriculum. Methods: Narrative review of literature on innovations in medical education, with a specific emphasis on anesthesiology training. Results: Educators face difficulties implementing new teaching approaches and evaluating their effectiveness. However, active learning methods, blended with selected traditional techniques, can enhance learner engagement and competencies. Self-directed learning and simulations prepare students for real-world practice, while flipped classrooms and online platforms increase accessibility. Conclusions: A blended approach, integrating interactive technology alongside modified lectures and seminars, may optimize anesthesiology education. Despite the promise of improved pedagogies, further research is required to assess outcomes. By embracing innovation while retaining certain foundational methods, programs can equip anesthesiologists with modern skills. This evolution is key to meeting the needs of 21st-century anesthesia care needs. Remaining at the forefront of this transformation will be vital in preparing competent future anesthesiologists through state-of-the-art education.

20.
BMC Bioinformatics ; 25(1): 56, 2024 Feb 02.
Article in English | MEDLINE | ID: mdl-38308205

ABSTRACT

BACKGROUND: Genome-wide association studies have successfully identified genetic variants associated with human disease. Various statistical approaches based on penalized and machine learning methods have recently been proposed for disease prediction. In this study, we evaluated the performance of several such methods for predicting asthma using the Korean Chip (KORV1.1) from the Korean Genome and Epidemiology Study (KoGES). RESULTS: First, single-nucleotide polymorphisms were selected via single-variant tests using logistic regression with the adjustment of several epidemiological factors. Next, we evaluated the following methods for disease prediction: ridge, least absolute shrinkage and selection operator, elastic net, smoothly clipped absolute deviation, support vector machine, random forest, boosting, bagging, naïve Bayes, and k-nearest neighbor. Finally, we compared their predictive performance based on the area under the curve of the receiver operating characteristic curves, precision, recall, F1-score, Cohen's Kappa, balanced accuracy, error rate, Matthews correlation coefficient, and area under the precision-recall curve. Additionally, three oversampling algorithms are used to deal with imbalance problems. CONCLUSIONS: Our results show that penalized methods exhibit better predictive performance for asthma than that achieved via machine learning methods. On the other hand, in the oversampling study, randomforest and boosting methods overall showed better prediction performance than penalized methods.


Subject(s)
Algorithms , Genome-Wide Association Study , Humans , Bayes Theorem , Machine Learning , Republic of Korea/epidemiology
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