AI Medical Compendium Journal:
International journal of molecular sciences

Showing 21 to 30 of 423 articles

Prediction and Prioritisation of Novel Anthelmintic Candidates from Public Databases Using Deep Learning and Available Bioactivity Data Sets.

International journal of molecular sciences Mar 28, 2025
The control of socioeconomically important parasitic roundworms (nematodes) of animals has become challenging or ineffective due to problems associated with widespread resistance in these worms to most classes of chemotherapeutic drugs (anthelmintics...
Haemonchus Animals Databases, Factual Anthelmintics Drug Discovery Computer Simulation Deep Learning
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Machine Learning-Guided Screening and Molecular Docking for Proposing Naturally Derived Drug Candidates Against MERS-CoV 3CL Protease.

International journal of molecular sciences Mar 26, 2025
In this study, we utilized machine learning techniques to identify potential inhibitors of the MERS-CoV 3CL protease. Among the models evaluated, the Random Forest (RF) algorithm exhibited the highest predictive performance, achieving an accuracy of ...
Middle East Respiratory Syndrome Coronavirus Humans Protease Inhibitors Machine Learning Antiviral Agents Coronavirus 3C Proteases Molecular Docking Simulation Molecular Dynamics Simulation Drug Discovery Catalytic Domain
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Cell Wall-Based Machine Learning Models to Predict Plant Growth Using Onion Epidermis.

International journal of molecular sciences Mar 24, 2025
The plant cell wall (CW) is a physical barrier that plays a dual role in plant physiology, providing structural support for growth and development. Understanding the dynamics of CW growth is crucial for optimizing crop yields. In this study, we emplo...
Gene Expression Regulation, Plant Plant Epidermis Cellulose Machine Learning Cell Wall Support Vector Machine Onions Spectroscopy, Fourier Transform Infrared
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Data-Driven Modeling and Design of Sustainable High Tg Polymers.

International journal of molecular sciences Mar 18, 2025
This paper develops a machine learning methodology for the rapid and robust prediction of the glass transition temperature (Tg) for polymers for the targeted application of sustainable high-temperature polymers. The machine learning framework combine...
Transition Temperature Glass Machine Learning Models, Chemical Polymers
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Enhancing HCV NS3 Inhibitor Classification with Optimized Molecular Fingerprints Using Random Forest.

International journal of molecular sciences Mar 17, 2025
The classification of Hepatitis C virus (HCV) NS3 inhibitors is essential for identifying potential antiviral agents through computational methods. This study aims to develop an optimized machine learning (ML) model using random forest (RF) and molec...
Humans Machine Learning Drug Discovery Antiviral Agents Viral Proteases Nucleoside-Triphosphatase Viral Nonstructural Proteins Protease Inhibitors DEAD-box RNA Helicases Random Forest Hepacivirus Serine Endopeptidases
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Validation of OncoOrigin: An Integrative AI Tool for Primary Cancer Site Prediction with Graphical User Interface to Facilitate Clinical Application.

International journal of molecular sciences Mar 13, 2025
Cancers of unknown primary (CUPs) represent a significant diagnostic and therapeutic challenge in the field of oncology. Due to the limitations of current diagnostic tools in these cases, novel approaches must be brought forward to improve treatment ...
Neoplasms User-Computer Interface Female Male Humans Machine Learning Software Computer Simulation
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Utilization of Machine Learning in the Prediction, Diagnosis, Prognosis, and Management of Chronic Myeloid Leukemia.

International journal of molecular sciences Mar 12, 2025
Chronic myeloid leukemia is a clonal hematologic disease characterized by the presence of the Philadelphia chromosome and the BCR::ABL1 fusion protein. Integrating different molecular, genetic, clinical, and laboratory data would improve the diagnost...
Machine Learning Algorithms Prognosis Disease Management Fusion Proteins, bcr-abl Leukemia, Myelogenous, Chronic, BCR-ABL Positive Humans
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Cancer Drug Sensitivity Prediction Based on Deep Transfer Learning.

International journal of molecular sciences Mar 10, 2025
In recent years, many approved drugs have been discovered using phenotypic screening, which elaborates the exact mechanisms of action or molecular targets of drugs. Drug susceptibility prediction is an important type of phenotypic screening. Large-sc...
Antineoplastic Agents Deep Learning Cell Line, Tumor Humans Precision Medicine Neoplasms Computational Biology Drug Screening Assays, Antitumor Drug Resistance, Neoplasm
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Comparison of Deep Learning and Traditional Machine Learning Models for Predicting Mild Cognitive Impairment Using Plasma Proteomic Biomarkers.

International journal of molecular sciences Mar 8, 2025
Mild cognitive impairment (MCI) is a clinical condition characterized by a decline in cognitive ability and progression of cognitive impairment. It is often considered a transitional stage between normal aging and Alzheimer's disease (AD). This study...
Humans Machine Learning Biomarkers Cognitive Dysfunction Proteomics Male Support Vector Machine Middle Aged Deep Learning Female Aged Aged, 80 and over
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GDF15, EGF, and Neopterin in Assessing Progression of Pediatric Chronic Kidney Disease Using Artificial Intelligence Tools-A Pilot Study.

International journal of molecular sciences Mar 6, 2025
Cell-mediated immunity and chronic inflammation are hallmarks of chronic kidney disease (CKD). Growth differentiation factor 15 (GDF15) is a marker of inflammation and an integrative signal in stress conditions. Epidermal growth factor (EGF) is a tub...
Disease Progression Pilot Projects Adolescent Biomarkers Female Male Growth Differentiation Factor 15 Epidermal Growth Factor Neopterin Child, Preschool Child Renal Insufficiency, Chronic Humans Neural Networks, Computer Artificial Intelligence
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