AIMC Topic: 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...
Drug Discovery Drug Evaluation, Preclinical Neural Networks, Computer Artificial Intelligence
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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...
Microfluidics Automation 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...
Computational Biology Biomarkers Machine Learning Ischemic Stroke Rats Animals Drug Evaluation, Preclinical
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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...
Anti-Bacterial Agents Deep Learning Drug Evaluation, Preclinical Neural Networks, Computer
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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...
Neural Networks, Computer Deep Learning Terahertz Spectroscopy Cell Survival Drug Evaluation, Preclinical
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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...
Machine Learning Drug Evaluation, Preclinical 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 ...
Ligands Protein Conformation Drug Evaluation, Preclinical Neural Networks, Computer Protein Binding Proteins
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Deep learning-based classification model for GPR151 activator activity prediction.

BMC bioinformatics Jun 9, 2023
BACKGROUND: GPR151 is a kind of protein belonging to G protein-coupled receptor family that is closely associated with a variety of physiological and pathological processes.The potential use of GPR151 as a therapeutic target for the management of met...
Drug Evaluation, Preclinical Neural Networks, Computer Algorithms Drug Discovery Deep Learning
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Artificial intelligence assisted identification of potential tau aggregation inhibitors: ligand- and structure-based virtual screening, in silico ADME, and molecular dynamics study.

Molecular diversity Apr 6, 2023
Alzheimer's disease (AD) is a severe, growing, multifactorial disorder affecting millions of people worldwide characterized by cognitive decline and neurodegeneration. The accumulation of tau protein into paired helical filaments is one of the major ...
Drug Discovery Protein Binding Molecular Dynamics Simulation Drug Evaluation, Preclinical Computer Simulation Humans Molecular Docking Simulation Protein Aggregates Artificial Intelligence Ligands Alzheimer Disease tau Proteins
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The Synergy between Deep Learning and Organs-on-Chips for High-Throughput Drug Screening: A Review.

Biosensors Mar 15, 2023
Organs-on-chips (OoCs) are miniature microfluidic systems that have arguably become a class of advanced in vitro models. Deep learning, as an emerging topic in machine learning, has the ability to extract a hidden statistical relationship from the in...
Deep Learning Drug Evaluation, Preclinical Humans Microphysiological Systems Microfluidics High-Throughput Screening Assays
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