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Topic Review
β-Adrenergic Stimulation
β-adrenergic receptor stimulation (β-ARS) is a physiological mechanism that regulates cardiovascular function under stress conditions or physical exercise, producing a positive inotropic (enhanced contraction), lusitropic (faster relaxation), and chronotropic (increased heart rate) effect. 
  • 3.6K
  • 04 Aug 2021
Topic Review
LncRNA-Protein Interactions
LncRNA can act as gene regulators, and like other epigenetic mechanisms are involved in numerous biological processes. They achieve their regulatory function with their ability to interact with a wide range of biological molecules, such as other nucleic acids and proteins. These lncRNA-protein interactions (LPI) are involved in many biological pathways including development and disease. A variety of computational LPI predictors exist, each applying different strategies to achieve their goals, and are dependent on a few biological databases containing subsets of experimentally validated LPI. Most modern lncRNA-protein interaction (LPI) prediction algorithms use machine learning approaches, where algorithms are trained on large datasets with attributes of interest.
  • 1.6K
  • 05 Jul 2021
Topic Review
Computer-Aided Drug Discovery for SMA
Spinal muscular atrophy (SMA), one of the leading inherited causes of child mortality, is a rare neuromuscular disease arising from loss-of-function mutations of the survival motor neuron 1 (SMN1) gene, which encodes the SMN protein. When lacking the SMN protein in neurons, patients suffer from muscle weakness and atrophy, and in the severe cases, respiratory failure and death. Several therapeutic approaches show promise with human testing and three medications have been approved by the U.S. Food and Drug Administration (FDA) to date. Despite the shown promise of these approved therapies, there are some crucial limitations, one of the most important being the cost. The FDA-approved drugs are high-priced and are shortlisted among the most expensive treatments in the world. The price is still far beyond affordable and may serve as a burden for patients. The blooming of the biomedical data and advancement of computational approaches have opened new possibilities for SMA therapeutic development. 
  • 1.4K
  • 09 Oct 2021
Topic Review Peer Reviewed
Information Security Risk Assessment
Information security risk assessment is an important part of enterprises’ management practices that helps to identify, quantify, and prioritize risks against criteria for risk acceptance and objectives relevant to the organization. Risk management refers to a process that consists of identification, management, and elimination or reduction of the likelihood of events that can negatively affect the resources of the information system to reduce security risks that potentially have the ability to affect the information system, subject to an acceptable cost of protection means that contain a risk analysis, analysis of the “cost-effectiveness” parameter, and selection, construction, and testing of the security subsystem, as well as the study of all aspects of security. 
  • 1.4K
  • 13 Apr 2022
Topic Review
Commercial Targeted Libraries in Drug Design
After the identification of a biological target (enzyme, receptor, protein and so on), the focus of the early phase of drug discovery rests on the identification of leads or compounds that exhibit pharmacological activity against this specific target. Compounds of interest are most often discovered in pre-existing libraries of compounds that can be either virtual or physical. Computer-aided methods which have become increasingly important over the years in drug development utilize virtual compound libraries. While physical compound libraries reach the number of millions of molecules, virtual compound libraries created by large pharmaceutical companies can range from 107 to 1018 molecules. Investigations of these libraries identifies specific molecules, synthetic pathways and focus on a specific chemical space. Targeted libraries are often smaller and are focused towards a specific chemical space. They are created by using relevant biological information with the aim to decrease the processing time associated with larger libraries while maintaining the most relevant chemical space where lead compounds can be found. Due to the fact that they required less computational or wet-lab labor to process they have become very popular with smaller laboratories which try to compete in the drug-development sector. Many modern vendors of compounds today offer such libraries, but the quality of the procedure used to define desired chemical space and select compounds is questionable.
  • 1.3K
  • 25 May 2022
Topic Review
Smoothed-Particle Hydrodynamics
Smoothed-particle hydrodynamics is a computational mesh-free Lagrangian method developed by Gingold, Monaghan, and Lucy in 1977, initially intended for use in astrophysics.
  • 1.2K
  • 08 Apr 2021
Topic Review
Disordered Proteins and Dynamic Interactions
Intrinsically disordered proteins (IDPs) or regions (IDRs), compared to the well-structural proteins, do not have stable tertiary structures under physiological conditions, and even remain dynamic in specific complexes and functional assemblies. It is now recognized that they are highly prevalent and play important roles in biology and human diseases due to the presence of many representative conformational states and potential dynamic interactions, which requires computer simulations for describing disordered protein ensembles and dynamic interactions involved in biological functions, diseases, and therapeutics.
  • 1.1K
  • 27 Oct 2021
Topic Review
NNetEn Entropy
NNetEn is the first entropy measure that is based on artificial intelligence methods. The method modifies the structure of the LogNNet classification model so that the classification accuracy of the MNIST-10 digits dataset indicates the degree of complexity of a given time series. The calculation results of the proposed model are similar to those of existing methods, while the model structure is completely different and provides considerable advantages.
  • 998
  • 19 Jun 2023
Topic Review
Vancomycin with Muramyl Pentapeptide
Vancomycin and a native muramyl pentapeptide ended with D-alanine (MPP-D-Ala), and vancomycin and a modified muramyl pentapeptide ended with D-serine (MPP-D-Ser) form complexes in a very specific way. This complexes provide a basis for characterizing the type and stability of the connection. The type of experimentally measured and computer-simulated interactions opens the field for discussion on possible modifications to the structure of vancomycin or muramyl pentapeptide to obtain their desired characteristics.
  • 938
  • 07 Feb 2022
Topic Review
Swarm Robotics
Swarm robotics is a dynamic research field that integrates two important concepts: Swarm Intelligence (SI) and Multi-Robotics System (MRS).
  • 867
  • 02 Jun 2022
Topic Review
ML-Based Detection Approaches of Coal Workers’ Pneumoconiosis
Computer-aided diagnostic (CAD) systems can assist radiologists in detecting coal workers’ pneumoconiosis (CWP) in their chest X-rays. Early diagnosis of the CWP can significantly improve workers’ survival rate.  The feature extraction and detection approaches of computer-based analysis in CWP using chest X-ray radiographs (CXR) can be summarised into three categories: classical methods including computer and international labor organization (ILO) classification-based detection; traditional machine learning methods; and CNN methods.
  • 839
  • 10 Jul 2024
Topic Review
Lattice Boltzmann Method
Biofilm growth and evolution are very complex interactions among physicochemical and biological processes. Mathematical models are critical to modern biotechnology—both in research and in the engineering practice. Thus, many models of biofilms have been developed to include various biofilm reactor modules. However, considerable challenges exist in modelling microbial processes where mesoscopic dynamics of nutrient transport must be coupled with microscopic bacteria growth and their elementary biochemical reactions at reactive or enzymatic interfaces, in addition to the microbiological and/or ecological aspects of the “micro” organisms involved in biofilms. Lattice Boltzmann Method (LBM) treats flows in terms of fictive parcels of particles which reside on a mesh and conduct translation according to collision steps entailing overall fluid-like behavior. The goal of this review is to discuss and identify the opportunities of applying different LBM-based models to specific areas of biofilm research as well as unique challenges that LBM-based models must overcome.
  • 828
  • 19 Jul 2021
Topic Review
Machine Learning for Process Monitoring
In the last few decades, hot-melt extrusion (HME) has emerged as a rapidly growing technology in the pharmaceutical industry, due to its various advantages over other fabrication routes for drug delivery systems. After the introduction of the ‘quality by design’ (QbD) approach by the Food and Drug Administration (FDA), many research studies have focused on implementing process analytical technology (PAT), including near-infrared (NIR), Raman, and UV–Vis, coupled with various machine learning algorithms, to monitor and control the HME process in real time. This review gives a comprehensive overview of the application of machine learning algorithms for HME processes, with a focus on pharmaceutical HME applications. The main current challenges in the application of machine learning algorithms for pharmaceutical processes are discussed, with potential future directions for the industry.
  • 793
  • 17 Sep 2021
Topic Review
Physiologically Based Pharmacokinetic Modeling of Nanoparticle Biodistribution
Cancer treatment and pharmaceutical development require targeted treatment and less toxic therapeutic intervention to achieve real progress against this disease. In this scenario, nanomedicine emerged as a reliable tool to improve drug pharmacokinetics and to translate to the clinical biologics based on large molecules. However, the ability of body to recognize foreign objects together with carrier transport heterogeneity derived from the combination of particle physical and chemical properties, payload and surface modification, make the designing of effective carriers very difficult. In this scenario, physiologically based pharmacokinetic modeling can help to design the particles and eventually predict their ability to reach the target and treat the tumor. This effort is performed by scientists with specific expertise and skills and familiarity with artificial intelligence tools such as advanced software that are not usually in the “cords” of traditional medical or material researchers. 
  • 791
  • 04 Nov 2022
Topic Review
Deep Learning in Predicting Aging-Related Diseases
Aging refers to progressive physiological changes in a cell, an organ, or the whole body of an individual, over time. Aging-related diseases are highly prevalent and could impact an individual’s physical health. Recently, artificial intelligence (AI) methods have been used to predict aging-related diseases and issues, aiding clinical providers in decision-making based on patient’s medical records. Deep learning (DL), as one of the most recent generations of AI technologies, has embraced rapid progress in the early prediction and classification of aging-related issues.
  • 779
  • 29 Nov 2021
Topic Review
Predicting the Evolution of Syntenies
Syntenies are genomic segments of consecutive genes identified by a certain conservation in gene content and order. The notion of conservation may vary from one definition to another, the more constrained requiring identical gene contents and gene orders, while more relaxed definitions just require a certain similarity in gene content, and not necessarily in the same order. Regardless of the way they are identified, the goal is to characterize homologous genomic regions, i.e., regions deriving from a common ancestral region, reflecting a certain gene co-evolution that can enlighten important functional properties.
  • 741
  • 02 Jun 2021
Topic Review
Alignment-Free Study of Viral Diversity
Viral sequence variation can expand the host repertoire, enhance the infection ability, and/or prevent the build-up of a long-term specific immunity by the host. The study of viral diversity is, thus, critical to understand sequence change and its implications for intervention strategies.
  • 741
  • 22 Sep 2021
Topic Review
MG-RAST
MG-RAST is an open-source web application server that suggests automatic phylogenetic and functional analysis of metagenomes. It is also one of the biggest repositories for metagenomic data. The name is an abbreviation of Metagenomic Rapid Annotations using Subsystems Technology. The pipeline automatically produces functional assignments to the sequences that belong to the metagenome by performing sequence comparisons to databases in both nucleotide and amino-acid levels. The applications supplies phylogenetic and functional assignments of the metagenome being analysed, as well as tools for comparing different metagenomes. It also provides a RESTful API for programmatic access. The server was created and maintained by Argonne National Laboratory from the University of Chicago. In December 29 of 2016, the system had analyzed 60 terabase-pairs of data from more than 150,000 data sets. Among the analyzed data sets, more than 23,000 are available to the public. Currently, the computational resources are provided by the DOE Magellan cloud at Argonne National Laboratory, Amazon EC2 Web services, and a number of traditional clusters.
  • 714
  • 10 Oct 2022
Topic Review
Post-Stroke Movement with Motion Capture and Musculoskeletal Modeling
Research of post-stroke locomotion via musculoskeletal (MSK) modeling has offered an unprecedented insight into pathological muscle function and its interplay with skeletal geometry and external stimuli. Advances in solving the dynamical system of post-stroke effort and the generic MSK models used have triggered noticeable improvements in simulating muscle activation dynamics of stroke populations.
  • 672
  • 09 Dec 2022
Topic Review
Machine Learning-Based for Depressive Syndrome
The current polythetic and operational criteria for major depression inevitably contribute to the heterogeneity of depressive syndromes. The heterogeneity of depressive syndrome has been criticized using the concept of language game in Wittgensteinian philosophy. Moreover, “a symptom- or endophenotype-based approach, rather than a diagnosis-based approach, has been proposed” as the “next-generation treatment for mental disorders” by Thomas Insel. Understanding the heterogeneity renders promise for personalized medicine to treat cases of depressive syndrome, in terms of both defining symptom clusters and selecting antidepressants. Machine learning algorithms have emerged as a tool for personalized medicine by handling clinical big data that can be used as predictors for subtype classification and treatment outcome prediction. The large clinical cohort data from the Sequenced Treatment Alternatives to Relieve Depression (STAR*D), Combining Medications to Enhance Depression Outcome (CO-MED), and the German Research Network on Depression (GRND) have recently began to be acknowledged as useful sources for machine learning-based depression research with regard to cost effectiveness and generalizability. In addition, noninvasive biological tools such as functional and resting state magnetic resonance imaging techniques are widely combined with machine learning methods to detect intrinsic endophenotypes of depression.
  • 661
  • 24 Sep 2021
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