AIMC Topic: Machine Learning

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R5hmCFDV: computational identification of RNA 5-hydroxymethylcytosine based on deep feature fusion and deep voting.

Briefings in bioinformatics
RNA 5-hydroxymethylcytosine (5hmC) is a kind of RNA modification, which is related to the life activities of many organisms. Studying its distribution is very important to reveal its biological function. Previously, high-throughput sequencing was use...

Implications of topological imbalance for representation learning on biomedical knowledge graphs.

Briefings in bioinformatics
Adoption of recently developed methods from machine learning has given rise to creation of drug-discovery knowledge graphs (KGs) that utilize the interconnected nature of the domain. Graph-based modelling of the data, combined with KG embedding (KGE)...

deepGraphh: AI-driven web service for graph-based quantitative structure-activity relationship analysis.

Briefings in bioinformatics
Artificial intelligence (AI)-based computational techniques allow rapid exploration of the chemical space. However, representation of the compounds into computational-compatible and detailed features is one of the crucial steps for quantitative struc...

Artificial intelligence and machine learning approaches using gene expression and variant data for personalized medicine.

Briefings in bioinformatics
Precision medicine uses genetic, environmental and lifestyle factors to more accurately diagnose and treat disease in specific groups of patients, and it is considered one of the most promising medical efforts of our time. The use of genetics is argu...

Insights into performance evaluation of compound-protein interaction prediction methods.

Bioinformatics (Oxford, England)
MOTIVATION: Machine-learning-based prediction of compound-protein interactions (CPIs) is important for drug design, screening and repurposing. Despite numerous recent publication with increasing methodological sophistication claiming consistent impro...

Indirect learning and physically guided validation of interatomic potential models.

The Journal of chemical physics
Machine learning (ML) based interatomic potentials are emerging tools for material simulations, but require a trade-off between accuracy and speed. Here, we show how one can use one ML potential model to train another: we use an accurate, but more co...

Molecular dipole moment learning via rotationally equivariant derivative kernels in molecular-orbital-based machine learning.

The Journal of chemical physics
This study extends the accurate and transferable molecular-orbital-based machine learning (MOB-ML) approach to modeling the contribution of electron correlation to dipole moments at the cost of Hartree-Fock computations. A MOB pairwise decomposition ...

Identifying infected patients using semi-supervised and transfer learning.

Journal of the American Medical Informatics Association : JAMIA
OBJECTIVES: Early identification of infection improves outcomes, but developing models for early identification requires determining infection status with manual chart review, limiting sample size. Therefore, we aimed to compare semi-supervised and t...

Lessons in machine learning model deployment learned from sepsis.

Med (New York, N.Y.)
In three recent and related publications, researchers from Johns Hopkins University and Bayesian Health report results from implementing and prospectively evaluating the Targeted Real-time Early Warning System (TREWS) for sepsis at five hospitals..

DNAffinity: a machine-learning approach to predict DNA binding affinities of transcription factors.

Nucleic acids research
We present a physics-based machine learning approach to predict in vitro transcription factor binding affinities from structural and mechanical DNA properties directly derived from atomistic molecular dynamics simulations. The method is able to predi...