AI Medical Compendium Journal:
International journal of biological macromolecules

Showing 61 to 70 of 120 articles

GraphPBSP: Protein binding site prediction based on Graph Attention Network and pre-trained model ProstT5.

International journal of biological macromolecules
Protein-protein/peptide interactions play crucial roles in various biological processes. Exploring their interactions attracts wide attention. However, accurately predicting their binding sites remains a challenging task. Here, we develop an effectiv...

Vaccine development using artificial intelligence and machine learning: A review.

International journal of biological macromolecules
The COVID-19 pandemic has underscored the critical importance of effective vaccines, yet their development is a challenging and demanding process. It requires identifying antigens that elicit protective immunity, selecting adjuvants that enhance immu...

Towards novel small-molecule inhibitors blocking PD-1/PD-L1 pathway: From explainable machine learning models to molecular dynamics simulation.

International journal of biological macromolecules
Molecular design of small-molecule inhibitors targeting programmed cell death-1 (PD-1)/programmed cell death ligand-1 (PD-L1) pathway has been recognized as an active research area by the clinical success of cancer immunotherapy. In recent years, usi...

Deep convolutional neural network-based identification and biological evaluation of MAO-B inhibitors.

International journal of biological macromolecules
Parkinson's disease (PD) is one of the most prominent motor disorder of adult-onset dementia connected to memory and other cognitive abilities. Individuals with this vicious neurodegenerative condition tend to have an elevated expression of Monoamine...

DeepAIP: Deep learning for anti-inflammatory peptide prediction using pre-trained protein language model features based on contextual self-attention network.

International journal of biological macromolecules
Non-steroidal anti-inflammatory drugs (NSAIDs), glucocorticoids, and other immunosuppressants are commonly used medications for treating inflammation. However, these drugs often come with numerous side effects. Therefore, finding more effective metho...

Machine learning prediction of stalk lignin content using Fourier transform infrared spectroscopy in large scale maize germplasm.

International journal of biological macromolecules
Lignin has been recognized as a major factor contributing to lignocellulosic recalcitrance in biofuel production and attracted attentions as a high-value product in the biorefinery field. As the traditional wet chemical methods for detecting lignin c...

An artificial intelligence handheld sensor for direct reading of nickel ion and ethylenediaminetetraacetic acid in food samples using ratiometric fluorescence cellulose paper microfluidic chip.

International journal of biological macromolecules
User-friendly in-field sensing protocol is crucial for the effective tracing of intended analytes under less-developed countries or resources-limited environments. Nevertheless, existing sensing strategies require professional technicians and expensi...

Synthesis and characterization of Fe(III)-doped beta-cyclodextrin-grafted chitosan cryogel beads for adsorption of diclofenac in aqueous solutions: Adsorption experiments and deep-learning modeling.

International journal of biological macromolecules
Diclofenac (DCF) is frequently detected in aquatic environments, emphasizing the critical need for its efficient removal globally. Here, we present the synthesis of Fe(III)-doped β-CD-grafted chitosan (Fe/β-CD@CS) cryogel beads designed for adsorbing...

Development of fucoidan/polyethyleneimine based sorafenib-loaded self-assembled nanoparticles with machine learning and DoE-ANN implementation: Optimization, characterization, and in-vitro assessment for the anticancer drug delivery.

International journal of biological macromolecules
This study aims to develop sorafenib-loaded self-assembled nanoparticles (SFB-SANPs) using the combined approach of artificial neural network and design of experiments (ANN-DoE) and to compare it with other machine learning (ML) models. The central c...

Machine learning based-model to predict catalytic performance on removal of hazardous nitrophenols and azo dyes pollutants from wastewater.

International journal of biological macromolecules
To maintain human health and purity of drinking water, it is crucial to eliminate harmful chemicals such as nitrophenols and azo dyes, considering their natural presence in the surroundings. In this particular research study, the application of machi...