AIMC Topic: Machine Learning

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Repurposing FDA-approved drugs as NLRP3 inhibitors against inflammatory diseases: machine learning and molecular simulation approaches.

Journal of biomolecular structure & dynamics
Activation of NLRP3 (NOD-like receptor family, pyrin domain-containing protein 3) has been associated with multiple chronic pathologies, including diabetes, atherosclerosis, and rheumatoid arthritis. Moreover, histone deacetylases (HDACs), specifical...

Bioactivity predictions and virtual screening using machine learning predictive model.

Journal of biomolecular structure & dynamics
Recently, there has been significant attention on machine learning algorithms for predictive modeling. Prediction models for enzyme inhibitors are limited, and it is essential to account for chemical biases while developing them. The lack of repeatab...

Discovery of hematopoietic progenitor kinase 1 inhibitors using machine learning-based screening and free energy perturbation.

Journal of biomolecular structure & dynamics
Hematopoietic progenitor kinase 1 (HPK1) is a key negative regulator of T-cell receptor (TCR) signaling and a promising target for cancer immunotherapy. The development of novel HPK1 inhibitors is challenging yet promising. In this study, we used a c...

Intelligent Care Management for Diabetic Foot Ulcers: A Scoping Review of Computer Vision and Machine Learning Techniques and Applications.

Journal of diabetes science and technology
Ten percent of adults in the United States have a diagnosis of diabetes and up to a third of these individuals will develop a diabetic foot ulcer (DFU) in their lifetime. Of those who develop a DFU, a fifth will ultimately require amputation with a m...

Different Performances of Machine Learning Models to Classify Dysphonic and Non-Dysphonic Voices.

Journal of voice : official journal of the Voice Foundation
OBJECTIVE: To analyze the performance of 10 different machine learning (ML) classifiers for discrimination between dysphonic and non-dysphonic voices, using a variance threshold as a method for the selection and reduction of acoustic measurements use...

Efficient Detection and Characterization of Targets of Natural Selection Using Transfer Learning.

Molecular biology and evolution
Natural selection leaves detectable patterns of altered spatial diversity within genomes, and identifying affected regions is crucial for understanding species evolution. Recently, machine learning approaches applied to raw population genomic data ha...

Identification of Different Steaming Degrees of Panax quinquefolius L. Based on GC-IMS Combined With Machine Learning.

Rapid communications in mass spectrometry : RCM
RATIONALE: Panax quinquefolius L. (PQ), a commonly used traditional Chinese medicine and a food, is usually processed into various products, including white PQ, red PQ (two- or three-time steamed PQ), and black PQ (nine-time steamed PQ). Previous stu...

Machine learning algorithms reveal gut microbiota signatures associated with chronic hepatitis B-related hepatic fibrosis.

World journal of gastroenterology
BACKGROUND: Hepatic fibrosis (HF) represents a pivotal stage in the progression and potential reversal of cirrhosis, underscoring the importance of early identification and therapeutic intervention to modulate disease trajectory.

Artificial intelligence in liver cancer surgery: Predicting success before the first incision.

World journal of gastroenterology
Advancements in machine learning have revolutionized preoperative risk assessment. In this article, we comment on the article by Huang , which presents a recent multicenter cohort study demonstrated that machine learning algorithms effectively strati...

Machine-learning approach facilitates prediction of whitefly spatiotemporal dynamics in a plant canopy.

Journal of economic entomology
Plant-specific insect scouting and prediction are still challenging in most crop systems. In this article, a machine-learning algorithm is proposed to predict populations during whiteflies (Bemisia tabaci, Hemiptera; Gennadius Aleyrodidae) scouting a...