AIMC Topic: Drug Evaluation, Preclinical

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Drug-Online: an online platform for drug-target interaction, affinity, and binding sites identification using deep learning.

BMC bioinformatics Apr 20, 2024
BACKGROUND: Accurately identifying drug-target interaction (DTI), affinity (DTA), and binding sites (DTS) is crucial for drug screening, repositioning, and design, as well as for understanding the functions of target. Although there are a few online ...
Drug Delivery Systems Drug Evaluation, Preclinical Binding Sites Drug Interactions Deep Learning
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Detection of biomagnetic signals from induced pluripotent stem cell-derived cardiomyocytes using deep learning with simulation data.

Scientific reports Mar 27, 2024
The detection of spontaneous magnetic signals can be used for the non-invasive electrophysiological evaluation of induced pluripotent stem cell-derived cardiomyocytes (iPS-CMs). We report that deep learning with a dataset that combines magnetic signa...
Deep Learning Mice Animals Isoproterenol Myocytes, Cardiac Drug Evaluation, Preclinical Cell Differentiation Induced Pluripotent Stem Cells
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Deep Learning-Based construction of a Drug-Like compound database and its application in virtual screening of HsDHODH inhibitors.

Methods (San Diego, Calif.) Mar 20, 2024
The process of virtual screening relies heavily on the databases, but it is disadvantageous to conduct virtual screening based on commercial databases with patent-protected compounds, high compound toxicity and side effects. Therefore, this paper uti...
Deep Learning Databases, Pharmaceutical Molecular Docking Simulation Humans Databases, Chemical Enzyme Inhibitors Neural Networks, Computer Drug Evaluation, Preclinical
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GraphormerDTI: A graph transformer-based approach for drug-target interaction prediction.

Computers in biology and medicine Mar 18, 2024
The application of Artificial Intelligence (AI) to screen drug molecules with potential therapeutic effects has revolutionized the drug discovery process, with significantly lower economic cost and time consumption than the traditional drug discovery...
Artificial Intelligence Drug Evaluation, Preclinical Drug Discovery Neural Networks, Computer
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High-throughput microfluidic systems accelerated by artificial intelligence for biomedical applications.

Lab on a chip Feb 27, 2024
High-throughput microfluidic systems are widely used in biomedical fields for tasks like disease detection, drug testing, and material discovery. Despite the great advances in automation and throughput, the large amounts of data generated by the high...
Automation Microfluidics Drug Evaluation, Preclinical Artificial Intelligence
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Identification and validation of platelet-related diagnostic markers and potential drug screening in ischemic stroke by integrating comprehensive bioinformatics analysis and machine learning.

Frontiers in immunology Jan 10, 2024
BACKGROUND: Ischemic stroke (IS), caused by blood and oxygen deprivation due to cerebral thrombosis, has links to activated and aggregated platelets. Discovering platelet-related biomarkers, developing diagnostic models, and screening antiplatelet dr...
Drug Evaluation, Preclinical Computational Biology Biomarkers Machine Learning Ischemic Stroke Rats Animals
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FIAMol-AB: A feature fusion and attention-based deep learning method for enhanced antibiotic discovery.

Computers in biology and medicine Nov 25, 2023
Antibiotic resistance continues to be a growing concern for global health, accentuating the need for novel antibiotic discoveries. Traditional methodologies in this field have relied heavily on extensive experimental screening, which is often time-co...
Drug Evaluation, Preclinical Neural Networks, Computer Deep Learning Anti-Bacterial Agents
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Deep-Learning Terahertz Single-Cell Metabolic Viability Study.

ACS nano Sep 28, 2023
Cell viability assessment is critical, yet existing assessments are not accurate enough. We report a cell viability evaluation method based on the metabolic ability of a single cell. Without culture medium, we measured the absorption of cells to tera...
Terahertz Spectroscopy Drug Evaluation, Preclinical Deep Learning Cell Survival Neural Networks, Computer
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Adapting physiologically-based pharmacokinetic models for machine learning applications.

Scientific reports Sep 11, 2023
Both machine learning and physiologically-based pharmacokinetic models are becoming essential components of the drug development process. Integrating the predictive capabilities of physiologically-based pharmacokinetic (PBPK) models within machine le...
Drug Evaluation, Preclinical Machine Learning Solubility
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DeepBindGCN: Integrating Molecular Vector Representation with Graph Convolutional Neural Networks for Protein-Ligand Interaction Prediction.

Molecules (Basel, Switzerland) Jun 10, 2023
The core of large-scale drug virtual screening is to select the binders accurately and efficiently with high affinity from large libraries of small molecules in which non-binders are usually dominant. The binding affinity is significantly influenced ...
Neural Networks, Computer Protein Binding Ligands Drug Evaluation, Preclinical Protein Conformation Proteins
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