Development of artificial neural network models to predict the PAMPA effective permeability of new, orally administered drugs active against the coronavirus SARS-CoV-2
AbstractResponding to the pandemic caused by SARS-CoV-2, the scientific community intensified efforts to provide drugs effective against the virus. To strengthen these efforts, the “COVID Moonshot” project has been accepting public suggestions for computationally triaged, synthesized, and tested molecules. The project aimed to identify molecules of low molecular weight with activity against the virus, for oral treatment. The ability of a drug to cross the intestinal cell m embranes and enter circulation decisively influences its bioavailability, and hence the need to optimize permeability in the early stages of drug di...
Source: Network Modeling Analysis in Health Informatics and Bioinformatics - February 6, 2023 Category: Bioinformatics Source Type: research

Deciphering the lysine acetylation pattern of leptospiral strains by in silico approach
This study aims to identify protein lysine acetylation patterns among groups of pathogenic and saprophytic species ofLeptospira, by screening the leptospiral proteome using a robust proteomics approach. In this study, a total of 15, 78,796 acetylated proteins with 83, 65,945 acetylation sites were identified among 469 strains of Leptospira to predict the pathogenesis pattern and signature peptide sequence, which was conserved among pathogenic Leptospira species, that can be used as a novel vaccine candidate. A similar pattern of acetylation was observed among the pathogenic and intermediate groups while different in the sa...
Source: Network Modeling Analysis in Health Informatics and Bioinformatics - January 22, 2023 Category: Bioinformatics Source Type: research

Epidemic dynamics in census-calibrated modular contact network
AbstractNetwork-based models are apt for understanding epidemic dynamics due to their inherent ability to model the heterogeneity of interactions in the contemporary world of intense human connectivity. We propose a framework to create a wire-frame that mimics the social contact network of the population in a geography by lacing it with demographic information. The framework results in a modular network with small-world topology that accommodates density variations and emulates human interactions infamily, social, andwork spaces. When loaded with suitable economic, social, and urban data shaping patterns of human connectan...
Source: Network Modeling Analysis in Health Informatics and Bioinformatics - January 10, 2023 Category: Bioinformatics Source Type: research

Molecule generation toward target protein (SARS-CoV-2) using reinforcement learning-based graph neural network via knowledge graph
AbstractAI-driven approaches are widely used in drug discovery, where candidate molecules are generated and tested on a target protein for binding affinity prediction. However, generating new compounds with desirable molecular properties such as Quantitative Estimate of Drug-likeness (QED) and Dopamine Receptor D2 activity (DRD2) while adhering to distinct chemical laws is challenging. To address these challenges, we proposed a graph-based deep learning framework to generate potential therapeutic drugs targeting the SARS-CoV-2 protein. Our proposed framework consists of two modules: a novel reinforcement learning (RL)-base...
Source: Network Modeling Analysis in Health Informatics and Bioinformatics - January 6, 2023 Category: Bioinformatics Source Type: research

An application of optimal control in medical systems: optimal investment strategy in doctors
AbstractHealth care is ever more important with the aging population and with the increased awareness of the importance of the medical systems due to the corona crisis that showed the capacity of the health care infrastructure, especially in terms of numbers of health care personnel such as doctors, was not sufficient. Assuming that the number of doctors per patient is one of the determinants of patient satisfaction, optimal investments in new doctors, specialist doctors and foreign doctors are analyzed. Optimal Control Theory is employed to determine the optimal investment strategy for new doctors (new graduates), special...
Source: Network Modeling Analysis in Health Informatics and Bioinformatics - January 5, 2023 Category: Bioinformatics Source Type: research

Machine learning-based telemedicine framework to prioritize remote patients with multi-chronic diseases for emergency healthcare services
AbstractThe remarkable increase in the number of patients poses challenges to healthcare providers in telemedicine systems, and certain challenges are associated with the difficulties of identifying the most urgent emergencies to save lives. Remote monitoring of patients with multiple chronic diseases (MCDs) is a major issue that must be addressed. This work aims to improve the triage system for remote patients who are far from hospital and use telemedicine system by considering the variation in their chronic diseases (chronic heart, hypertension, hypotension, and diabetes diseases). The proposed framework named machine le...
Source: Network Modeling Analysis in Health Informatics and Bioinformatics - January 3, 2023 Category: Bioinformatics Source Type: research

Temporal networks in biology and medicine: a survey on models, algorithms, and tools
AbstractThe use of static graphs for modelling and analysis of biological and biomedical data plays a key role in biomedical research. However, many real-world scenarios present dynamic behaviours resulting in both node and edges modification as well as feature evolution. Consequently, ad-hoc models for capturing these evolutions along the time have been introduced, also referred to as dynamic, temporal, time-varying graphs. Here, we focus on temporal graphs, i.e., graphs whose evolution is represented by a sequence of time-ordered snapshots. Each snapshot represents a graph active in a particular timestamp. We survey temp...
Source: Network Modeling Analysis in Health Informatics and Bioinformatics - December 31, 2022 Category: Bioinformatics Source Type: research

Transcriptional expression and prognostic roles of MCM7 in human bladder, breast, and lung cancers: a multi-omics analysis
AbstractMinichromosome Maintenance Complex Component 7 (MCM7) protein is associated with cell proliferation in cancer and that might play an important role in human cancer. Here, we examined a systematic analysis to identify the expression and prognosis pattern of MCM7 gene in different cancer. Initially, we examined publicly available online platforms such as Oncomine, TIMER, cBioportal, PrognoScan, and  NetworkAnalyst to identify the expression pattern of MCM7 in human cancers. Our analysis revealed the higher transcriptional expression of MCM7 gene in different cancers, but overall expression analysis showed that bladd...
Source: Network Modeling Analysis in Health Informatics and Bioinformatics - December 28, 2022 Category: Bioinformatics Source Type: research

Modeling methods and the degree of parameter uncertainty in probabilistic analyses of economic evaluations
AbstractThere is a framework providing some general guidance to interpret the levels of parameter uncertainty of the probabilistic analysis in economic evaluations. Given that this framework may not fully address underlying causes for the uncertainty, we sought to extend it for two specific scenarios. We provided the mathematical interpretations and conducted simulation studies for two scenarios. The first study examined a case where the intervention and control strategies were associated with different health states (e.g., active surveillance versus surgery for treatment of non-invasive cancer). The second study evaluated...
Source: Network Modeling Analysis in Health Informatics and Bioinformatics - December 28, 2022 Category: Bioinformatics Source Type: research

Optimal control of a two-group malaria transmission model with vaccination
AbstractMalaria is a vector-borne disease that poses major health challenges globally, with the highest burden in children less than 5 years old. Prevention and treatment have been the main interventions measures until the recent groundbreaking highly recommended malaria vaccine by WHO for children below five. A two-group malaria model structured by age with vaccination of individuals aged below 5 years old is formulated and theoretically analyzed. The disease-free equilibrium is globally asymptotically stable when the disease-induced death rate in both human groups is zero. Descarte ’s rule of signs is used to discuss t...
Source: Network Modeling Analysis in Health Informatics and Bioinformatics - December 23, 2022 Category: Bioinformatics Source Type: research

Predicting drug-resistant miRNAs in cancer
AbstractMicroRNAs (miRNAs) are small noncoding RNAs that play a vital role in controlling drug sensitivity/resistance in cancer. Hence, the effectiveness of cancer treatment can be significantly improved by identifying these miRNAs. We reviewed the studies that emphasize the identification of miRNAs associated with drug resistance in cancer. Two computational methods are also developed to identify the miRNAs associated with drug resistance. In the first method, the Euclidean distance with weighted fold change (EDWFC) score is developed. Here, the Euclidean distance and fold change, computed using the averages of control an...
Source: Network Modeling Analysis in Health Informatics and Bioinformatics - December 15, 2022 Category: Bioinformatics Source Type: research

Prioritization of the factors affecting the performance of clinical laboratories using the AHP and ANP techniques
In this study, two different multi-criteria decision-making methods, analytic hierarchy process (AHP) and the analytic network process (ANP), were used to prior itize and weight CL performance indicators and investigate their relations. These methods offer health-care systems a straightforward way to analyse the status of CL. According to the results, “Quality” achieved the top priority, followed by “Cost.” In addition, “Resource Management” and “Time” were stated as the third and fourth priorities, respectively. Moreover, the study analysed the global ranking of each sub-criterion. While “Errors During T...
Source: Network Modeling Analysis in Health Informatics and Bioinformatics - December 15, 2022 Category: Bioinformatics Source Type: research

Policy analysis and data mining tools for controlling COVID-19 policies
AbstractMuch research has been done on the efficacy of vaccines against the COVID-19 pandemic, but the claims have not yet been realized in the real world. This paper proposes three COVID-19 policy outcome analysis tools such as jpscore for scoring and revealing the best prefecture policy in Japan, scorecovid for scoring and revealing the best country policy in the world, and finally hiscovid for visualizing and identifying when policymakers made mistakes in time-series scores. Poorly scored countries or prefectures can learn good strategies from the best country or prefecture with excellent scores. Three tools are based o...
Source: Network Modeling Analysis in Health Informatics and Bioinformatics - December 5, 2022 Category: Bioinformatics Source Type: research

Structural analysis of SARS-CoV-2 Spike protein variants through graph embedding
AbstractSince December 2019, severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has affected almost all countries. The unprecedented spreading of this virus has led to the insurgence of many variants that impact protein sequence and structure that need continuous monitoring and analysis of the sequences to understand the genetic evolution and to prevent possible dangerous outcomes. Some variants causing the modification of the structure of the proteins, such as the Spike protein S, need to be monitored. Protein contact networks (PCNs) have been recently proposed as a modelling framework for protein structures. In...
Source: Network Modeling Analysis in Health Informatics and Bioinformatics - December 2, 2022 Category: Bioinformatics Source Type: research

Mathematical model of the tumor cells ’ population growth
AbstractIn medical science, the tumor  is a critical situation and the grounds for failing life and places a significant hurdle on medical. Predicting the extension of tumors has been of matter since the initial periods of tumor examination, and investigators have been performing to illustrate a new medical approach for tumors. The t umor is a condition reached when uncommon cells erupt from the genetic rules and are experienced limitlessly. This state forms a cell group with uncontrolled growth inside. Metastasis is when some tumor cells shift and form other tumors. The model explains that the proliferation of the tu...
Source: Network Modeling Analysis in Health Informatics and Bioinformatics - November 29, 2022 Category: Bioinformatics Source Type: research