AIMC Topic: Machine Learning

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Machine Learning Models Identify Inhibitors of New Delhi Metallo-β-lactamase.

Journal of chemical information and modeling
The worldwide spread of the metallo-β-lactamases (MBL), especially New Delhi metallo-β-lactamase-1 (NDM-1), is threatening the efficacy of β-lactams, which are the most potent and prescribed class of antibiotics in the clinic. Currently, FDA-approved...

Prediction of 24-Hour Urinary Sodium Excretion Using Machine-Learning Algorithms.

Journal of the American Heart Association
BACKGROUND: Accurate quantification of sodium intake based on self-reported dietary assessments has been a persistent challenge. We aimed to apply machine-learning (ML) algorithms to predict 24-hour urinary sodium excretion from self-reported questio...

Machine learning derived serum creatinine trajectories in acute kidney injury in critically ill patients with sepsis.

Critical care (London, England)
BACKGROUND: Current classification for acute kidney injury (AKI) in critically ill patients with sepsis relies only on its severity-measured by maximum creatinine which overlooks inherent complexities and longitudinal evaluation of this heterogenous ...

Machine learning-based prediction models affecting the recovery of postoperative bowel function for patients undergoing colorectal surgeries.

BMC surgery
PURPOSE: The debate surrounding factors influencing postoperative flatus and defecation in patients undergoing colorectal resection prompted this study. Our objective was to identify independent risk factors and develop prediction models for postoper...

Machine learning based DNA melt curve profiling enables automated novel genotype detection.

BMC bioinformatics
Surveillance for genetic variation of microbial pathogens, both within and among species, plays an important role in informing research, diagnostic, prevention, and treatment activities for disease control. However, large-scale systematic screening f...

Machine learning-based bioimpedance assessment of knee osteoarthritis severity.

Biomedical physics & engineering express
This study proposes a multiclass model to classify the severity of knee osteoarthritis (KOA) using bioimpedance measurements. The experimental setup considered three types of measurements using eight electrodes: global impedance with adjacent pattern...

MISATO: machine learning dataset of protein-ligand complexes for structure-based drug discovery.

Nature computational science
Large language models have greatly enhanced our ability to understand biology and chemistry, yet robust methods for structure-based drug discovery, quantum chemistry and structural biology are still sparse. Precise biomolecule-ligand interaction data...

Machine learning and multi-omics data reveal driver gene-based molecular subtypes in hepatocellular carcinoma for precision treatment.

PLoS computational biology
The heterogeneity of Hepatocellular Carcinoma (HCC) poses a barrier to effective treatment. Stratifying highly heterogeneous HCC into molecular subtypes with similar features is crucial for personalized anti-tumor therapies. Although driver genes pla...

Machine learning algorithms for identifying contralateral central lymph node metastasis in unilateral cN0 papillary thyroid cancer.

Frontiers in endocrinology
PURPOSE: The incidence of thyroid cancer is growing fast and surgery is the most significant treatment of it. For patients with unilateral cN0 papillary thyroid cancer whether to dissect contralateral central lymph node is still under debating. Here,...