AIMC Journal:
International journal of molecular sciences

Showing 171 to 180 of 423 articles

Applications for Deep Learning in Epilepsy Genetic Research.

International journal of molecular sciences Sep 27, 2023
Epilepsy is a group of brain disorders characterised by an enduring predisposition to generate unprovoked seizures. Fuelled by advances in sequencing technologies and computational approaches, more than 900 genes have now been implicated in epilepsy....
Genomics Epilepsy Seizures Machine Learning Deep Learning Humans
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Cheminformatics and Machine Learning Approaches to Assess Aquatic Toxicity Profiles of Fullerene Derivatives.

International journal of molecular sciences Sep 15, 2023
Fullerene derivatives (FDs) are widely used in nanomaterials production, the pharmaceutical industry and biomedicine. In the present study, we focused on the potential toxic effects of FDs on the aquatic environment. First, we analyzed the binding af...
Acetylcholinesterase Cholinesterase Inhibitors Humans Machine Learning Animals Water Pollutants, Chemical Daphnia Cheminformatics Quantitative Structure-Activity Relationship Fullerenes Cyprinidae
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scTIGER: A Deep-Learning Method for Inferring Gene Regulatory Networks from Case versus Control scRNA-seq Datasets.

International journal of molecular sciences Aug 28, 2023
Inferring gene regulatory networks (GRNs) from single-cell RNA-seq (scRNA-seq) data is an important computational question to find regulatory mechanisms involved in fundamental cellular processes. Although many computational methods have been designe...
Prostatic Neoplasms Mitogen-Activated Protein Kinases Gene Regulatory Networks Single-Cell Gene Expression Analysis Fear Male Deep Learning Humans
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Unraveling the Molecular Puzzle: Exploring Gene Networks across Diverse EMT Status of Cell Lines.

International journal of molecular sciences Aug 14, 2023
Understanding complex disease mechanisms requires a comprehensive understanding of the gene regulatory networks, as complex diseases are often characterized by the dysregulation and dysfunction of molecular networks, rather than abnormalities in sing...
Gene Regulatory Networks Computational Biology Cell Line Artificial Intelligence Epithelial-Mesenchymal Transition
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DeepSATA: A Deep Learning-Based Sequence Analyzer Incorporating the Transcription Factor Binding Affinity to Dissect the Effects of Non-Coding Genetic Variants.

International journal of molecular sciences Jul 27, 2023
Utilizing large-scale epigenomics data, deep learning tools can predict the regulatory activity of genomic sequences, annotate non-coding genetic variants, and uncover mechanisms behind complex traits. However, these tools primarily rely on human or ...
DNA Cattle Swine Chickens Humans Transcription Factors Deep Learning Chromatin Mice Animals
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A Benchmark Study of Graph Models for Molecular Acute Toxicity Prediction.

International journal of molecular sciences Jul 26, 2023
With the wide usage of organic compounds, the assessment of their acute toxicity has drawn great attention to reduce animal testing and human labor. The development of graph models provides new opportunities for acute toxicity prediction. In this stu...
Humans Neural Networks, Computer Benchmarking Fishes Aliivibrio fischeri Animals Organic Chemicals
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Biophysical Profiling of Sickle Cell Disease Using Holographic Cytometry and Deep Learning.

International journal of molecular sciences Jul 25, 2023
Sickle cell disease (SCD) is an inherited hematological disorder associated with high mortality rates, particularly in sub-Saharan Africa. SCD arises due to the polymerization of sickle hemoglobin, which reduces flexibility of red blood cells (RBCs),...
Hematologic Diseases Hemoglobin, Sickle Anemia, Sickle Cell Humans Erythrocytes Deep Learning
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Impact of E484Q and L452R Mutations on Structure and Binding Behavior of SARS-CoV-2 B.1.617.1 Using Deep Learning AlphaFold2, Molecular Docking and Dynamics Simulation.

International journal of molecular sciences Jul 17, 2023
During the outbreak of COVID-19, many SARS-CoV-2 variants presented key amino acid mutations that influenced their binding abilities with angiotensin-converting enzyme 2 (hACE2) and neutralizing antibodies. For the B.1.617 lineage, there had been fea...
COVID-19 SARS-CoV-2 Humans Antibodies, Neutralizing Molecular Dynamics Simulation Molecular Docking Simulation Deep Learning Protein Binding Mutation
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Artificial Intelligence in Decrypting Cytoprotective Activity under Oxidative Stress from Molecular Structure.

International journal of molecular sciences Jul 12, 2023
Artificial intelligence (AI) is widely explored nowadays, and it gives opportunities to enhance classical approaches in QSAR studies. The aim of this study was to investigate the cytoprotective activity parameter under oxidative stress conditions for...
Algorithms Oxidative Stress Artificial Intelligence Molecular Structure Indoles
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MetaSpot: A General Approach for Recognizing the Reactive Atoms Undergoing Metabolic Reactions Based on the MetaQSAR Database.

International journal of molecular sciences Jul 4, 2023
The prediction of drug metabolism is attracting great interest for the possibility of discarding molecules with unfavorable ADME/Tox profile at the early stage of the drug discovery process. In this context, artificial intelligence methods can genera...
Chemical Phenomena Biotransformation Artificial Intelligence Databases, Factual
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