AI Medical Compendium Journal:
Computational biology and chemistry

Showing 81 to 90 of 191 articles

BactInt: A domain driven transfer learning approach for extracting inter-bacterial associations from biomedical text.

Computational biology and chemistry
BACKGROUND: The healthy as well as dysbiotic state of an ecosystem like human body is known to be influenced not only by the presence of the bacterial groups in it, but also with respect to the associations within themselves. Evidence reported in bio...

Implementing link prediction in protein networks via feature fusion models based on graph neural networks.

Computational biology and chemistry
MOTIVATION: Protein-protein interactions serve as the cornerstone for various biochemical processes within biological organisms. Existing research methodologies predominantly employ link prediction techniques to analyze these interaction networks. Ho...

Ensemble of local and global information for Protein-Ligand Binding Affinity Prediction.

Computational biology and chemistry
Accurately predicting protein-ligand binding affinities is crucial for determining molecular properties and understanding their physical effects. Neural networks and transformers are the predominant methods for sequence modeling, and both have been s...

ResBiGAAT: Residual Bi-GRU with attention for protein-ligand binding affinity prediction.

Computational biology and chemistry
Protein-ligand interaction plays a crucial role in drug discovery, facilitating efficient drug development and enabling drug repurposing. Several computational algorithms, such as Graph Neural Networks and Convolutional Neural Networks, have been pro...

ProS-GNN: Predicting effects of mutations on protein stability using graph neural networks.

Computational biology and chemistry
Predicting protein stability change upon variation through a computational approach is a valuable tool to unveil the mechanisms of mutation-induced drug failure and develop immunotherapy strategies. Some previous machine learning-based techniques exh...

Interpretable single-cell transcription factor prediction based on deep learning with attention mechanism.

Computational biology and chemistry
Predicting the transcription factor binding site (TFBS) in the whole genome range is essential in exploring the rule of gene transcription control. Although many deep learning methods to predict TFBS have been proposed, predicting TFBS using single-c...

RDDL: A systematic ensemble pipeline tool that streamlines balancing training schemes to reduce the effects of data imbalance in rare-disease-related deep-learning applications.

Computational biology and chemistry
Identifying lowly prevalent diseases, or rare diseases, in their early stages is key to disease treatment in the medical field. Deep learning techniques now provide promising tools for this purpose. Nevertheless, the low prevalence of rare diseases e...

SENet: A deep learning framework for discriminating super- and typical enhancers by sequence information.

Computational biology and chemistry
Super-enhancers are large domains on the genome where multiple short typical enhancers within a specific genomic distance are stitched together. Typically, they are cell type-specific and responsible for defining cell identity and regulating gene tra...

DeepBCE: Evaluation of deep learning models for identification of immunogenic B-cell epitopes.

Computational biology and chemistry
B-Cell epitopes (BCEs) can identify and bind with receptor proteins (antigens) to initiate an immune response against pathogens. Understanding antigen-antibody binding interactions has many applications in biotechnology and biomedicine, including des...

BCM-DTI: A fragment-oriented method for drug-target interaction prediction using deep learning.

Computational biology and chemistry
The identification of drug-target interaction (DTI) is significant in drug discovery and development, which is usually of high cost in time and money due to large amount of molecule and protein space. The application of deep learning in predicting DT...