BioMedInformatics最新文献

{"title":"Toward Cancer Chemoprevention: Mathematical Modeling of Chemically Induced Carcinogenesis and Chemoprevention","authors":"Dimitrios G. Boucharas, Chryssa Anastasiadou, Spyridon Karkabounas, E. Antonopoulou, George Manis","doi":"10.3390/biomedinformatics4010021","DOIUrl":"https://doi.org/10.3390/biomedinformatics4010021","url":null,"abstract":"Cancer, which is currently rated as the second-leading cause of mortality across the globe, is one of the most hazardous disease groups that has plagued humanity for centuries. The experiments presented here span over two decades and were conducted on a specific species of mice, aiming to neutralize a highly carcinogenic agent by altering its chemical structure when combined with certain compounds. A plethora of growth models, each of which makes use of distinctive qualities, are utilized in the investigation and explanation of the phenomena of chemically induced oncogenesis and prevention. The analysis ultimately results in the formalization of the process of locating the growth model that provides the best descriptive power based on predefined criteria. This is accomplished through a methodological workflow that adopts a computational pipeline based on the Levenberg–Marquardt algorithm with pioneering and conventional metrics as well as a ruleset. The developed process simplifies the investigated phenomena as the parameter space of growth models is reduced. The predictability is proven strong in the near future (i.e., a 0.61% difference between the predicted and actual values). The parameters differentiate between active compounds (i.e., classification results reach up to 96% in sensitivity and other performance metrics). The distribution of parameter contribution complements the findings that the logistic growth model is the most appropriate (i.e., 44.47%). In addition, the dosage of chemicals is increased by a factor of two for the next round of trials, which exposes parallel behavior between the two dosages. As a consequence, the study reveals important information on chemoprevention and the cycles of cancer proliferation. If developed further, it might lead to the development of nutritional supplements that completely inhibit the expansion of cancerous tumors. The methodology provided can be used to describe other phenomena that progress over time and it has the power to estimate future results.","PeriodicalId":72394,"journal":{"name":"BioMedInformatics","volume":"23 2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139871146","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Depleted-MLH1 Expression Predicts Prognosis and Immunotherapeutic Efficacy in Uterine Corpus Endometrial Cancer: An In Silico Approach","authors":"Tesfaye Wolde, Jing Huang, Peng Huang, Vijay Pandey, Peiwu Qin","doi":"10.3390/biomedinformatics4010019","DOIUrl":"https://doi.org/10.3390/biomedinformatics4010019","url":null,"abstract":"Uterine corpus endometrial carcinoma (UCEC) poses significant clinical challenges due to its high incidence and poor prognosis, exacerbated by the lack of effective screening methods. The standard treatment for UCEC typically involves surgical intervention, with radiation and chemotherapy as potential adjuvant therapies. In recent years, immunotherapy has emerged as a promising avenue for the advanced treatment of UCEC. This study employs a multi-omics approach, analyzing RNA-sequencing data and clinical information from The Cancer Genome Atlas (TCGA), Gene Expression Profiling Interactive Analysis (GEPIA), and GeneMANIA databases to investigate the prognostic value of MutL Homolog 1 (MLH1) gene expression in UCEC. The dysregulation of MLH1 in UCEC is linked to adverse prognostic outcomes and suppressed immune cell infiltration. Gene Set Enrichment Analysis (GSEA) data reveal MLH1’s involvement in immune-related processes, while its expression correlates with tumor mutational burden (TMB) and microsatellite instability (MSI). Lower MLH1 expression is associated with poorer prognosis, reduced responsiveness to Programmed cell death protein 1 (PD-1)/Programmed death-ligand 1 (PD-L1) inhibitors, and heightened sensitivity to anti-cancer agents. This comprehensive analysis establishes MLH1 as a potential biomarker for predicting prognosis, immunotherapy response, and drug sensitivity in UCEC, offering crucial insights for the clinical management of patients.","PeriodicalId":72394,"journal":{"name":"BioMedInformatics","volume":"32 12","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139875635","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Identifying Potent Fat Mass and Obesity-Associated Protein Inhibitors Using Deep Learning-Based Hybrid Procedures","authors":"Kannan Mayuri, Durairaj Varalakshmi, Mayakrishnan Tharaheswari, C. S. Somala, Selvaraj Sathya Priya, N. Bharathkumar, Renganthan Senthil, Raja Babu Singh Kushwah, Sundaram Vickram, Thirunavukarasou Anand, K. Saravanan","doi":"10.3390/biomedinformatics4010020","DOIUrl":"https://doi.org/10.3390/biomedinformatics4010020","url":null,"abstract":"The fat mass and obesity-associated (FTO) protein catalyzes metal-dependent modifications of nucleic acids, namely the demethylation of methyl adenosine inside mRNA molecules. The FTO protein has been identified as a potential target for developing anticancer therapies. Identifying a suitable ligand-targeting FTO protein is crucial to developing chemotherapeutic medicines to combat obesity and cancer. Scientists worldwide have employed many methodologies to discover a potent inhibitor for the FTO protein. This study uses deep learning-based methods and molecular docking techniques to investigate the FTO protein as a target. Our strategy involves systematically screening a database of small chemical compounds. By utilizing the crystal structures of the FTO complexed with ligands, we successfully identified three small-molecule chemical compounds (ZINC000003643476, ZINC000000517415, and ZINC000001562130) as inhibitors of the FTO protein. The identification process was accomplished by employing a combination of screening techniques, specifically deep learning (DeepBindGCN) and Autodock vina, on the ZINC database. These compounds were subjected to comprehensive analysis using 100 nanoseconds of molecular dynamics and binding free energy calculations. The findings of our study indicate the identification of three candidate inhibitors that might effectively target the human fat mass and obesity protein. The results of this study have the potential to facilitate the exploration of other chemicals that can interact with FTO. Conducting biochemical studies to evaluate these compounds’ effectiveness may contribute to improving fat mass and obesity treatment strategies.","PeriodicalId":72394,"journal":{"name":"BioMedInformatics","volume":"176 5","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139812835","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Identifying Potent Fat Mass and Obesity-Associated Protein Inhibitors Using Deep Learning-Based Hybrid Procedures","authors":"Kannan Mayuri, Durairaj Varalakshmi, Mayakrishnan Tharaheswari, C. S. Somala, Selvaraj Sathya Priya, N. Bharathkumar, Renganthan Senthil, Raja Babu Singh Kushwah, Sundaram Vickram, Thirunavukarasou Anand, K. Saravanan","doi":"10.3390/biomedinformatics4010020","DOIUrl":"https://doi.org/10.3390/biomedinformatics4010020","url":null,"abstract":"The fat mass and obesity-associated (FTO) protein catalyzes metal-dependent modifications of nucleic acids, namely the demethylation of methyl adenosine inside mRNA molecules. The FTO protein has been identified as a potential target for developing anticancer therapies. Identifying a suitable ligand-targeting FTO protein is crucial to developing chemotherapeutic medicines to combat obesity and cancer. Scientists worldwide have employed many methodologies to discover a potent inhibitor for the FTO protein. This study uses deep learning-based methods and molecular docking techniques to investigate the FTO protein as a target. Our strategy involves systematically screening a database of small chemical compounds. By utilizing the crystal structures of the FTO complexed with ligands, we successfully identified three small-molecule chemical compounds (ZINC000003643476, ZINC000000517415, and ZINC000001562130) as inhibitors of the FTO protein. The identification process was accomplished by employing a combination of screening techniques, specifically deep learning (DeepBindGCN) and Autodock vina, on the ZINC database. These compounds were subjected to comprehensive analysis using 100 nanoseconds of molecular dynamics and binding free energy calculations. The findings of our study indicate the identification of three candidate inhibitors that might effectively target the human fat mass and obesity protein. The results of this study have the potential to facilitate the exploration of other chemicals that can interact with FTO. Conducting biochemical studies to evaluate these compounds’ effectiveness may contribute to improving fat mass and obesity treatment strategies.","PeriodicalId":72394,"journal":{"name":"BioMedInformatics","volume":"97 4","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139873052","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Research on the Application and Interpretability of Predictive Statistical Data Analysis Methods in Medicine","authors":"Pentti Nieminen","doi":"10.3390/biomedinformatics4010018","DOIUrl":"https://doi.org/10.3390/biomedinformatics4010018","url":null,"abstract":"Multivariable statistical analysis involves the dichotomy of modeling and predicting [...]","PeriodicalId":72394,"journal":{"name":"BioMedInformatics","volume":"145 2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140481325","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Artificial Intelligence Analysis and Reverse Engineering of Molecular Subtypes of Diffuse Large B-Cell Lymphoma Using Gene Expression Data","authors":"J. Carreras, Yara Yukie Kikuti, M. Miyaoka, Saya Miyahara, Giovanna Roncador, R. Hamoudi, Naoya Nakamura","doi":"10.3390/biomedinformatics4010017","DOIUrl":"https://doi.org/10.3390/biomedinformatics4010017","url":null,"abstract":"Diffuse large B-cell lymphoma is one of the most frequent mature B-cell hematological neoplasms and non-Hodgkin lymphomas. Despite advances in diagnosis and treatment, clinical evolution is unfavorable in a subset of patients. Using molecular techniques, several pathogenic models have been proposed, including cell-of-origin molecular classification; Hans’ classification and derivates; and the Schmitz, Chapuy, Lacy, Reddy, and Sha models. This study introduced different machine learning techniques and their classification. Later, several machine learning techniques and artificial neural networks were used to predict the DLBCL subtypes with high accuracy (100–95%), including Germinal center B-cell like (GCB), Activated B-cell like (ABC), Molecular high-grade (MHG), and Unclassified (UNC), in the context of the data released by the REMoDL-B trial. In order of accuracy (MHG vs. others), the techniques were XGBoost tree (100%); random trees (99.9%); random forest (99.5%); and C5, Bayesian network, SVM, logistic regression, KNN algorithm, neural networks, LSVM, discriminant analysis, CHAID, C&R tree, tree-AS, Quest, and XGBoost linear (99.4–91.1%). The inputs (predictors) were all the genes of the array and a set of 28 genes related to DLBCL-Burkitt differential expression. In summary, artificial intelligence (AI) is a useful tool for predictive analytics using gene expression data.","PeriodicalId":72394,"journal":{"name":"BioMedInformatics","volume":"50 4","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-01-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140493679","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Tetanus Severity Classification in Low-Middle Income Countries through ECG Wearable Sensors and a 1D-Vision Transformer","authors":"Ping Lu, Zihao Wang, Hai Duong Ha Thi, Ho Bich Hai, Louise Thwaites, David A. Clifton","doi":"10.3390/biomedinformatics4010016","DOIUrl":"https://doi.org/10.3390/biomedinformatics4010016","url":null,"abstract":"Tetanus, a life-threatening bacterial infection prevalent in low- and middle-income countries like Vietnam, impacts the nervous system, causing muscle stiffness and spasms. Severe tetanus often involves dysfunction of the autonomic nervous system (ANS). Timely detection and effective ANS dysfunction management require continuous vital sign monitoring, traditionally performed using bedside monitors. However, wearable electrocardiogram (ECG) sensors offer a more cost-effective and user-friendly alternative. While machine learning-based ECG analysis can aid in tetanus severity classification, existing methods are excessively time-consuming. Our previous studies have investigated the improvement of tetanus severity classification using ECG time series imaging. In this study, our aim is to explore an alternative method using ECG data without relying on time series imaging as an input, with the aim of achieving comparable or improved performance. To address this, we propose a novel approach using a 1D-Vision Transformer, a pioneering method for classifying tetanus severity by extracting crucial global information from 1D ECG signals. Compared to 1D-CNN, 2D-CNN, and 2D-CNN + Dual Attention, our model achieves better results, boasting an F1 score of 0.77 ± 0.06, precision of 0.70 ± 0. 09, recall of 0.89 ± 0.13, specificity of 0.78 ± 0.12, accuracy of 0.82 ± 0.06 and AUC of 0.84 ± 0.05.","PeriodicalId":72394,"journal":{"name":"BioMedInformatics","volume":"19 8","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-01-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139612311","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Deep Machine Learning for Medical Diagnosis, Application to Lung Cancer Detection: A Review","authors":"Hadrien T. Gayap, Moulay A. Akhloufi","doi":"10.3390/biomedinformatics4010015","DOIUrl":"https://doi.org/10.3390/biomedinformatics4010015","url":null,"abstract":"Deep learning has emerged as a powerful tool for medical image analysis and diagnosis, demonstrating high performance on tasks such as cancer detection. This literature review synthesizes current research on deep learning techniques applied to lung cancer screening and diagnosis. This review summarizes the state-of-the-art in deep learning for lung cancer detection, highlighting key advances, limitations, and future directions. We prioritized studies utilizing major public datasets, such as LIDC, LUNA16, and JSRT, to provide a comprehensive overview of the field. We focus on deep learning architectures, including 2D and 3D convolutional neural networks (CNNs), dual-path networks, Natural Language Processing (NLP) and vision transformers (ViT). Across studies, deep learning models consistently outperformed traditional machine learning techniques in terms of accuracy, sensitivity, and specificity for lung cancer detection in CT scans. This is attributed to the ability of deep learning models to automatically learn discriminative features from medical images and model complex spatial relationships. However, several challenges remain to be addressed before deep learning models can be widely deployed in clinical practice. These include model dependence on training data, generalization across datasets, integration of clinical metadata, and model interpretability. Overall, deep learning demonstrates great potential for lung cancer detection and precision medicine. However, more research is required to rigorously validate models and address risks. This review provides key insights for both computer scientists and clinicians, summarizing progress and future directions for deep learning in medical image analysis.","PeriodicalId":72394,"journal":{"name":"BioMedInformatics","volume":"124 30","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-01-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139615776","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Factors Associated with Unplanned Hospital Readmission after Discharge: A Descriptive and Predictive Study Using Electronic Health Record Data","authors":"Safaa Dafrallah, Moulay A. Akhloufi","doi":"10.3390/biomedinformatics4010014","DOIUrl":"https://doi.org/10.3390/biomedinformatics4010014","url":null,"abstract":"Hospital readmission involves the unplanned emergency admission of patients within 30 days from discharge after the previous admission. According to the Canadian Health Institute (CIHI), 1 in 11 patients were readmitted within 30 days of leaving the hospital in 2021. In the USA, nearly 20% of Medicare patients were readmitted after discharge, where the average cost of readmission was approximately USD 15,000, as reported by the Agency for Healthcare Research and Quality (AHQR) in 2018. To tackle this issue, we first conducted a descriptive analysis study to understand the risk factors associated with hospital readmission, and then we applied machine learning approaches to predict hospital readmission by using patients’ demographic and clinical data extracted from the Electronic Health Record of the MIMIC-III clinical database. The results showed that the number of previous admissions during the last 12 months, hyperosmolar imbalance and comorbidity index were the top three significant factors for hospital readmission. The predictive model achieved a performance of 95.6% AP and an AUC = 97.3% using the Gradient Boosting algorithm trained on all features.","PeriodicalId":72394,"journal":{"name":"BioMedInformatics","volume":" 46","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-01-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139624945","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Digital Pathology: A Comprehensive Review of Open-Source Histological Segmentation Software","authors":"A. M. Pavone, Antonio Giulio Giannone, Daniela Cabibi, Simona D’Aprile, Simona Denaro, G. Salvaggio, R. Parenti, Anthony Yezzi, A. Comelli","doi":"10.3390/biomedinformatics4010012","DOIUrl":"https://doi.org/10.3390/biomedinformatics4010012","url":null,"abstract":"In the era of digitalization, the biomedical sector has been affected by the spread of artificial intelligence. In recent years, the possibility of using deep and machine learning methods for clinical diagnostic and therapeutic interventions has been emerging as an essential resource for biomedical imaging. Digital pathology represents innovation in a clinical world that looks for faster and better-performing diagnostic methods, without losing the accuracy of current human-guided analyses. Indeed, artificial intelligence has played a key role in a wide variety of applications that require the analysis of a massive amount of data, including segmentation processes in medical imaging. In this context, artificial intelligence enables the improvement of image segmentation methods, moving towards the development of fully automated systems of analysis able to support pathologists in decision-making procedures. The aim of this review is to aid biologists and clinicians in discovering the most common segmentation open-source tools, including ImageJ (v. 1.54), CellProfiler (v. 4.2.5), Ilastik (v. 1.3.3) and QuPath (v. 0.4.3), along with their customized implementations. Additionally, the tools’ role in the histological imaging field is explored further, suggesting potential application workflows. In conclusion, this review encompasses an examination of the most commonly segmented tissues and their analysis through open-source deep and machine learning tools.","PeriodicalId":72394,"journal":{"name":"BioMedInformatics","volume":"42 8","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-01-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139533992","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}