Results 91 to 100 of about 5,071,662 (140)

Modeling and administration scheduling of fractional-order pharmacokinetic systems [PDF]

open access: yesarXiv, 2017
Fractional-order dynamical systems were recently introduced in the field of pharmacokinetics where they proved powerful tools for modeling the absorption, disposition, distribution and excretion of drugs which are liable to anomalous diffusion, deep tissue trapping and other nonlinear phenomena.
arxiv  

Impact of gastrointestinal physiology on drug absorption in special populations - An UNGAP review.

open access: yesEuropean Journal of Pharmaceutical Sciences, 2020
Cordula Stillhart   +19 more
semanticscholar   +1 more source

Drug classification based on X-ray spectroscopy combined with machine learning [PDF]

open access: yesarXiv
The proliferation of new types of drugs necessitates the urgent development of faster and more accurate detection methods. Traditional detection methods have high requirements for instruments and environments, making the operation complex. X-ray absorption spectroscopy, a non-destructive detection technique, offers advantages such as ease of operation,
arxiv  

Chemi-net: a graph convolutional network for accurate drug property prediction [PDF]

open access: yesarXiv, 2018
Absorption, distribution, metabolism, and excretion (ADME) studies are critical for drug discovery. Conventionally, these tasks, together with other chemical property predictions, rely on domain-specific feature descriptors, or fingerprints. Following the recent success of neural networks, we developed Chemi-Net, a completely data-driven, domain ...
arxiv  

Towards Evolutionary-based Automated Machine Learning for Small Molecule Pharmacokinetic Prediction [PDF]

open access: yesarXiv
Machine learning (ML) is revolutionising drug discovery by expediting the prediction of small molecule properties essential for developing new drugs. These properties -- including absorption, distribution, metabolism and excretion (ADME)-- are crucial in the early stages of drug development since they provide an understanding of the course of the drug ...
arxiv  

Optimal switching strategies in multi-drug therapies for chronic diseases [PDF]

open access: yesarXiv
Antimicrobial resistance is a threat to public health with millions of deaths linked to drug resistant infections every year. To mitigate resistance, common strategies that are used are combination therapies and therapy switching. However, the stochastic nature of pathogenic mutation makes the optimization of these strategies challenging.
arxiv  

Enhancing Drug Solubility, Bioavailability, and Targeted Therapeutic Applications through Magnetic Nanoparticles

open access: yesMolecules
Biological variability poses significant challenges in the development of effective therapeutics, particularly when it comes to drug solubility and bioavailability. Poor solubility across varying physiological conditions often leads to reduced absorption
Yue Zhuo, Yong-Gang Zhao, Yun Zhang
doaj   +1 more source

SMILES-Mamba: Chemical Mamba Foundation Models for Drug ADMET Prediction [PDF]

open access: yesarXiv
In drug discovery, predicting the absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties of small-molecule drugs is critical for ensuring safety and efficacy. However, the process of accurately predicting these properties is often resource-intensive and requires extensive experimental data.
arxiv  

Integration of Genetic Algorithms and Deep Learning for the Generation and Bioactivity Prediction of Novel Tyrosine Kinase Inhibitors [PDF]

open access: yesarXiv
The intersection of artificial intelligence and bioinformatics has enabled significant advancements in drug discovery, particularly through the application of machine learning models. In this study, we present a combined approach using genetic algorithms and deep learning models to address two critical aspects of drug discovery: the generation of novel
arxiv  

Effective combination of cold physical plasma and chemotherapy against Ewing sarcoma cells in vitro

open access: yesScientific Reports
Ewing's sarcoma (ES) is the second most common bone tumor in children and adolescents and is highly malignant. Although the new chemotherapy has significantly improved the survival rate for ES from about 10 to 75%, the survival rate for metastatic tumors
Andreas Nitsch   +9 more
doaj   +1 more source

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