AIMC Topic: Computational Biology

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Inference of gene regulatory networks based on directed graph convolutional networks.

Briefings in bioinformatics
Inferring gene regulatory network (GRN) is one of the important challenges in systems biology, and many outstanding computational methods have been proposed; however there remains some challenges especially in real datasets. In this study, we propose...

TP-LMMSG: a peptide prediction graph neural network incorporating flexible amino acid property representation.

Briefings in bioinformatics
Bioactive peptide therapeutics has been a long-standing research topic. Notably, the antimicrobial peptides (AMPs) have been extensively studied for its therapeutic potential. Meanwhile, the demand for annotating other therapeutic peptides, such as a...

HLAIImaster: a deep learning method with adaptive domain knowledge predicts HLA II neoepitope immunogenic responses.

Briefings in bioinformatics
While significant strides have been made in predicting neoepitopes that trigger autologous CD4+ T cell responses, accurately identifying the antigen presentation by human leukocyte antigen (HLA) class II molecules remains a challenge. This identifica...

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...

Peptide-based drug discovery through artificial intelligence: towards an autonomous design of therapeutic peptides.

Briefings in bioinformatics
With their diverse biological activities, peptides are promising candidates for therapeutic applications, showing antimicrobial, antitumour and hormonal signalling capabilities. Despite their advantages, therapeutic peptides face challenges such as s...

Improved prediction of DNA and RNA binding proteins with deep learning models.

Briefings in bioinformatics
Nucleic acid-binding proteins (NABPs), including DNA-binding proteins (DBPs) and RNA-binding proteins (RBPs), play important roles in essential biological processes. To facilitate functional annotation and accurate prediction of different types of NA...

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...