AIMC Topic: Machine Learning

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Fast and Reliable NMR-Based Fragment Scoring for Drug Discovery.

Journal of the American Chemical Society
Fragment-Based Drug Discovery (FBDD) is a powerful strategy used in the development of new therapeutics. Molecular fragments are screened against a target protein, where interactions are typically characterized by a low affinity. Nuclear Magnetic Res...

Machine Learning for Predicting Environmental Mobility Based on Retention Behavior.

Environmental science & technology
Very persistent and very mobile (vPvM) substances threaten the environment and human health. These chemicals can persist in aquatic systems and move rapidly due to their affinity for water over soil or other adsorbents. Chemical mobility is usually c...

Plasma multi-omics and machine learning reveal predictive biomarkers for type 2 diabetes and retinopathy in Qatar biobank cohort.

Journal of translational medicine
BACKGROUND: Type 2 diabetes (T2D) and its vascular complications, including diabetic retinopathy (DR), are escalating in prevalence globally, with disproportionately high prevalence in Middle Eastern populations, where genetic predispositions and lif...

Decoding dynamic lipase trajectory patterns and in-hospital mortality in acute pancreatitis: insights from machine learning in intensive care units.

European journal of medical research
BACKGROUND: Serum lipase levels are crucial biomarkers in acute pancreatitis (AP), yet their dynamic patterns and prognostic implications remain incompletely understood. This study aimed to identify distinct lipase trajectory phenotypes and evaluate ...

Re-examining the association between region-specific pain recurrence and muscle force strategies in patients with patellofemoral pain via OpenSim and artificial intelligence: a prospective cohort study toward targeted rehabilitation.

Journal of neuroengineering and rehabilitation
BACKGROUND: This study utilized artificial intelligence (AI)-based machine learning algorithms, alongside the shapley additive explanations (SHAP) framework, to identify lower-limb muscle force patterns associated with recurrent patellofemoral pain (...

Explainable AI for infection prevention and control: modeling CPE acquisition and patient outcomes in an Irish hospital with transformers.

BMC medical informatics and decision making
BACKGROUND: Carbapenemase-Producing Enterobacteriace (CPE) poses a critical concern for infection prevention and control in hospitals. However, predictive modeling of previously highlighted CPE-associated risks such as readmission, mortality, and ext...

Early detection of self-care impairments in children with disabilities using an enhanced SE network optimized by ISCO algorithm.

Scientific reports
Children with disabilities frequently encounter considerable obstacles in acquiring self-care skills, which are vigorous for developing their independence and overall quality of life. The early detection of self-care deficits is important for prompt ...

Machine learning predictions of climate change effects on nearly threatened bird species (Crithagra xantholaema) habitat in Ethiopia for conservation strategies.

Scientific reports
Endemic and endangered bird species, such as Salvadori serin (C. xantholaema), are vulnerable to environmental and anthropogenic changes. Understanding the impact of climate change on ecological niches is essential for effective conservation. This st...

Predicting visual aesthetic preferences in Tehran city universities campuses using machine learning techniques.

Scientific reports
Visual aesthetic preferences fundamentally shape the restorative potential of university landscapes and have a significant impact on student well-being and engagement. This study developed Ensemble Learning Models to predict students' aesthetic prefe...