AIMC Topic: Kinetics

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A deep neural network: mechanistic hybrid model to predict pharmacokinetics in rat.

Journal of computer-aided molecular design
An important aspect in the development of small molecules as drugs or agrochemicals is their systemic availability after intravenous and oral administration. The prediction of the systemic availability from the chemical structure of a potential candi...

Pattern recognition in the nucleation kinetics of non-equilibrium self-assembly.

Nature
Inspired by biology's most sophisticated computer, the brain, neural networks constitute a profound reformulation of computational principles. Analogous high-dimensional, highly interconnected computational architectures also arise within information...

MRI-Based Kinetic Heterogeneity Evaluation in the Accurate Access of Axillary Lymph Node Status in Breast Cancer Using a Hybrid CNN-RNN Model.

Journal of magnetic resonance imaging : JMRI
BACKGROUND: Accurate evaluation of the axillary lymph node (ALN) status is needed for determining the treatment protocol for breast cancer (BC). The value of magnetic resonance imaging (MRI)-based tumor heterogeneity in assessing ALN metastasis in BC...

Quantitative Rapid Magnetic Immunoassay for Sensitive Toxin Detection in Food: Non-Covalent Functionalization of Nanolabels vs. Covalent Immobilization.

Toxins
In this study, we present a novel and ultrasensitive magnetic lateral flow immunoassay (LFIA) tailored for the precise detection of zearalenone, a mycotoxin with significant implications for human and animal health. A versatile and straightforward me...

Characterization and bioactivities of coffee husks extract encapsulated with polyvinylpyrrolidone.

Food research international (Ottawa, Ont.)
Coffee processing generates large amounts of residues of which a portion still has bioactive properties due to their richness in phenolic compounds. This study aimed to obtain a coffee husks extract (CHE) and to encapsulate it (ECHE) with polyvinylpy...

Enzyme Databases in the Era of Omics and Artificial Intelligence.

International journal of molecular sciences
Enzyme research is important for the development of various scientific fields such as medicine and biotechnology. Enzyme databases facilitate this research by providing a wide range of information relevant to research planning and data analysis. Over...

Anti-inflammatory and urease inhibitory iridoid glycosides from Nyctanthes arbor-tristis Linn.

Journal of ethnopharmacology
ETHNOPHARMACOLOGICAL RELEVANCE: Nyctanthes arbor-tristis Linn. has been used by Ayruvedic physicians for the cure of different diseases including ulcers, gastric and inflammatory diseases.

Chitosan-based magnetic bioadsorbent beads from eucalyptus sawdust waste for the Direct Violet-51 dye remediation: Eco-friendly strategy and statistical optimization.

International journal of biological macromolecules
In the present study, a new application was proposed for the eucalyptus sawdust waste, which is an environmental passive. Three adsorbent materials composed of chitosan (CS), sawdust (CSW), and magnetic beads (CSWF) were developed and used for the Di...

Machine learning methods for tracer kinetic modelling.

Nuklearmedizin. Nuclear medicine
Tracer kinetic modelling based on dynamic PET is an important field of Nuclear Medicine for quantitative functional imaging. Yet, its implementation in clinical routine has been constrained by its complexity and computational costs. Machine learning ...

Physics-informed neural networks to solve lumped kinetic model for chromatography process.

Journal of chromatography. A
Numerical method is widely used for solving the mechanistic models of chromatography process, but it is time-consuming and hard to response in real-time. Physics-informed neural network (PINN) as an emerging technology combines the structure of neura...