AIMC Topic: Algorithms

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MvMRL: a multi-view molecular representation learning method for molecular property prediction.

Briefings in bioinformatics
Effective molecular representation learning is very important for Artificial Intelligence-driven Drug Design because it affects the accuracy and efficiency of molecular property prediction and other molecular modeling relevant tasks. However, previou...

Hierarchical multimodal self-attention-based graph neural network for DTI prediction.

Briefings in bioinformatics
Drug-target interactions (DTIs) are a key part of drug development process and their accurate and efficient prediction can significantly boost development efficiency and reduce development time. Recent years have witnessed the rapid advancement of de...

Advancing drug-response prediction using multi-modal and -omics machine learning integration (MOMLIN): a case study on breast cancer clinical data.

Briefings in bioinformatics
The inherent heterogeneity of cancer contributes to highly variable responses to any anticancer treatments. This underscores the need to first identify precise biomarkers through complex multi-omics datasets that are now available. Although much rese...

AITeQ: a machine learning framework for Alzheimer's prediction using a distinctive five-gene signature.

Briefings in bioinformatics
Neurodegenerative diseases, such as Alzheimer's disease, pose a significant global health challenge with their complex etiology and elusive biomarkers. In this study, we developed the Alzheimer's Identification Tool (AITeQ) using ribonucleic acid-seq...

sincFold: end-to-end learning of short- and long-range interactions in RNA secondary structure.

Briefings in bioinformatics
MOTIVATION: Coding and noncoding RNA molecules participate in many important biological processes. Noncoding RNAs fold into well-defined secondary structures to exert their functions. However, the computational prediction of the secondary structure f...

Complementary multi-modality molecular self-supervised learning via non-overlapping masking for property prediction.

Briefings in bioinformatics
Self-supervised learning plays an important role in molecular representation learning because labeled molecular data are usually limited in many tasks, such as chemical property prediction and virtual screening. However, most existing molecular pre-t...

A comprehensive benchmarking of machine learning algorithms and dimensionality reduction methods for drug sensitivity prediction.

Briefings in bioinformatics
A major challenge of precision oncology is the identification and prioritization of suitable treatment options based on molecular biomarkers of the considered tumor. In pursuit of this goal, large cancer cell line panels have successfully been studie...

Mutation prediction in the SARS-CoV-2 genome using attention-based neural machine translation.

Mathematical biosciences and engineering : MBE
Severe acute respiratory syndrome coronavirus 2 (SARS‑CoV‑2) has been evolving rapidly after causing havoc worldwide in 2020. Since then, it has been very hard to contain the virus owing to its frequently mutating nature. Changes in its genome lead t...

[An artificial neural network diagnostic model for scleroderma and immune cell infiltration analysis based on mitochondria-associated genes].

Nan fang yi ke da xue xue bao = Journal of Southern Medical University
OBJECTIVE: To establish a diagnostic model for scleroderma by combining machine learning and artificial neural network based on mitochondria-related genes.

Transparent deep learning to identify autism spectrum disorders (ASD) in EHR using clinical notes.

Journal of the American Medical Informatics Association : JAMIA
OBJECTIVE: Machine learning (ML) is increasingly employed to diagnose medical conditions, with algorithms trained to assign a single label using a black-box approach. We created an ML approach using deep learning that generates outcomes that are tran...