Infectious Disease

Three- and four-class classification models for P-glycoprotein inhibitors using counter-propagation neural networks.

P-glycoprotein (P-gp) is an ATP binding cassette (ABC) transporter that helps to protect several certain human organs from xenobiotic exposure. This efflux pump is also responsible for multi-drug resistance (MDR), an issue of the chemotherapy approach in the fight against cancer. Therefore, the discovery of P-gp inhibitors is considered one of the most popular strategies to reverse MDR in tumour c...

Predicting fecal sources in waters with diverse pollution loads using general and molecular host-specific indicators and applying machine learning methods.

In this study we use a machine learning software (Ichnaea) to generate predictive models for water samples with different concentrations of fecal contamination (point source, moderate and low). We applied several MST methods (host-specific Bacteroides phages, mitochondrial DNA genetic markers, Bifidobacterium adolescentis and Bifidobacterium dentium markers, and bifidobacterial host-specific qPCR)...

Using support vector machines to identify protein phosphorylation sites in viruses.

Phosphorylation of viral proteins plays important roles in enhancing replication and inhibition of normal host-cell functions. Given its importance in...

An infectious disease/fever screening radar system which stratifies higher-risk patients within ten seconds using a neural network and the fuzzy grouping method.

OBJECTIVES: To classify higher-risk influenza patients within 10 s, we developed an infectious disease and fever screening radar system.

A comparative study of family-specific protein-ligand complex affinity prediction based on random forest approach.

The assessment of binding affinity between ligands and the target proteins plays an essential role in drug discovery and design process. As an alterna...

Comment on "Performance of ANFIS versus MLP-NN dissolved oxygen prediction models in water quality monitoring A. Najah & A. El-Shafie & O. A. Karim & Amr H. El-Shafie. Environ Sci Pollut Res (2014) 21:1658-1670".

UGMDR: a unified conceptual framework for detection of multifactor interactions underlying complex traits.

Biological outcomes are governed by multiple genetic and environmental factors that act in concert. Determining multifactor interactions is the primar...

Prediction of β-lactamase and its class by Chou's pseudo-amino acid composition and support vector machine.

β-Lactam class of antibiotics is used as major therapeutic agent against a number of pathogenic microbes. The widespread and indiscriminate use of ant...

Ensemble learning of inverse probability weights for marginal structural modeling in large observational datasets.

Inverse probability weights used to fit marginal structural models are typically estimated using logistic regression. However, a data-adaptive procedu...

Procalcitonin Strip Test as an Independent Predictor in Acute Pancreatitis.

Plasma procalcitonin (PCT) is a highly specific marker for the diagnosis of bacterial infection and sepsis. Studies have demonstrated its role in the ...

Functional outcomes after TORS for oropharyngeal cancer: a systematic review.

Summarize functional outcomes after transoral robotic surgery (TORS) ± adjuvant therapy for oropharyngeal cancer (OPC). A systematic review was conduc...

Humanoid robotics in health care: An exploration of children's and parents' emotional reactions.

A new non-pharmacological method of distraction was tested with 57 children during their annual flu vaccination. Given children's growing enthusiasm f...

Pneumonia Detection in Paediatric Chest X-Rays using Ensembled Large Language Models

Background: Paediatric pneumonia is a major cause of childhood morbidity and mortality. Chest X-rays (CXR) are central to diagnosis, but shortages of ...

Forecasting viral evolution from phylogenetic trees

Viral mutation forecasting plays a key role in pandemic preparedness by enabling researchers to anticipate novel variants and design proactive interve...

Cross-dataset transportability of pediatric chest X-ray deep learning across three countries: discrimination, calibration, operating-point failure, and limited-label recovery

Background and Objective: External evaluation of medical-imaging AI is often collapsed into discrimination. We evaluated a computational protocol that...

Beyond benchmark accuracy: machine-learning turnover-number predictors require system-level validation

Enzyme turnover numbers (kcat) are essential for kinetic models and enzyme-constrained genome-scale metabolic models (ecGEMs), but measured values are...

Evaluating GPT-4o Model Proficiency and Clinical Reasoning for Antimicrobial Stewardship in Dentistry

Objectives: Dentists prescribe approximately one in ten antibiotics worldwide, yet antimicrobial stewardship (AMS) remains underemphasized in dental e...

An Integrative Computational Approach to Predict Viral Epitopes by Targeting the MHC-TCR Complexation

T-cell immunity acts as a major defense system against controlling viral infections in vertebrates. During viral entry, innate immune cells degrade th...

Learning and forecasting shared evolutionary pathways to multi-drug resistance across global pathogens

Infections with bacteria which have evolved multi-drug resistance (MDR) cause millions of deaths worldwide. Large-scale efforts are gathering genotypi...

The first OpenBind release: An open experimental structure-affinity dataset and benchmark for structure-based AI

High-quality experimental datasets that link protein-ligand structures with binding affinity data are essential for developing and evaluating structur...