AI Medical Compendium Journal:
Computational biology and chemistry

Showing 91 to 100 of 191 articles

A novel survival prediction signature outperforms PAM50 and artificial intelligence-based feature-selection methods.

Computational biology and chemistry
The robustness of a breast cancer gene signature, the super-proliferation set (SPS), is initially tested and investigated on breast cancer cell lines from the Cancer Cell Line Encyclopaedia (CCLE). Previously, SPS was derived via a meta-analysis of 4...

Real-to-bin conversion for protein residue distances.

Computational biology and chemistry
Protein Structure Prediction (PSP) has achieved significant progress lately. Prediction of inter-residue distances by machine learning and their exploitation during the conformational search is largely among the critical factors behind the progress. ...

Machine learning and molecular simulation ascertain antimicrobial peptide against Klebsiella pneumoniae from public database.

Computational biology and chemistry
Antimicrobial peptides (AMPs) are short peptides with a broad spectrum of antimicrobial activity. They play a key role in the host innate immunity of many organisms. The growing threat of microorganisms resistant to antimicrobial agents and the lack ...

Early diagnosis of Parkinson's disease: A combined method using deep learning and neuro-fuzzy techniques.

Computational biology and chemistry
Predicting Unified Parkinson's Disease Rating Scale (UPDRS) in Total- UPDRS and Motor-UPDRS clinical scales is an important part of controlling PD. Computational intelligence approaches have been used effectively in the early diagnosis of PD by predi...

DeeProPre: A promoter predictor based on deep learning.

Computational biology and chemistry
The promoter is a DNA sequence recognized, bound and transcribed by RNA polymerase. It is usually located at the upstream or 5'end of the transcription start site (TSS). Studies have shown that the structure of the promoter affects its affinity for R...

BAT-Net: An enhanced RNA Secondary Structure prediction via bidirectional GRU-based network with attention mechanism.

Computational biology and chemistry
BACKGROUND: RNA Secondary Structure (RSS) has drawn growing concern, both for their pivotal roles in RNA tertiary structures prediction and critical effect in penetrating the mechanism of functional non-coding RNA. Computational techniques that can r...

Graph convolutional network based virus-human protein-protein interaction prediction for novel viruses.

Computational biology and chemistry
Computational identification of human-virus protein-protein interactions (PHIs) is a worthwhile step towards understanding infection mechanisms. Analysis of the PHI networks is important for the determination of pathogenic diseases. Prediction of the...

DeepRHD: An efficient hybrid feature extraction technique for protein remote homology detection using deep learning strategies.

Computational biology and chemistry
In computational biology, the Protein Remote homology Detection technique (PRHD) has got undeniable significance. It is mostly important for structure and function identification of a protein sequence. The previous years have seen a challenge that la...

Predicting H NMR acyl chain order parameters with graph neural networks.

Computational biology and chemistry
H NMR order parameters of the acyl chain of phospholipid membranes are an important indicator of the effects of molecules on membrane order, mobility, and permeability. So far, the evaluation procedures are case-by-case studies for every type of smal...

Prediction of protein mononucleotide binding sites using AlphaFold2 and machine learning.

Computational biology and chemistry
In this study, we developed a system that predicts the binding sites of proteins for five mononucleotides (AMP, ADP, ATP, GDP, and GTP). The system comprises two machine learning (ML)-based predictors using a convolutional neural network and a gradie...