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Solubility

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A Novel Artificial Intelligence System in Formulation Dissolution Prediction.

Computational intelligence and neuroscience
Artificial neural network (ANN) techniques are widely used to screen the data and predict the experimental result in pharmaceutical studies. In this study, a novel dissolution result prediction and screen system with a backpropagation network and reg...

Design of predictive model to optimize the solubility of Oxaprozin as nonsteroidal anti-inflammatory drug.

Scientific reports
These days, many efforts have been made to increase and develop the solubility and bioavailability of novel therapeutic medicines. One of the most believable approaches is the operation of supercritical carbon dioxide fluid (SC-CO). This operation ha...

Solubility Optimization of Loxoprofen as a Nonsteroidal Anti-Inflammatory Drug: Statistical Modeling and Optimization.

Molecules (Basel, Switzerland)
Industrial-based application of supercritical CO (SCCO) has emerged as a promising technology in numerous scientific fields due to offering brilliant advantages, such as simplicity of application, eco-friendliness, and high performance. Loxoprofen so...

Anti-Cancer Drug Solubility Development within a Green Solvent: Design of Novel and Robust Mathematical Models Based on Artificial Intelligence.

Molecules (Basel, Switzerland)
Nowadays, supercritical CO(SC-CO) is known as a promising alternative for challengeable organic solvents in the pharmaceutical industry. The mathematical prediction and validation of drug solubility through SC-CO system using novel artificial intelli...

Can We Predict Clinical Pharmacokinetics of Highly Lipophilic Compounds by Integration of Machine Learning or In Vitro Data into Physiologically Based Models? A Feasibility Study Based on 12 Development Compounds.

Molecular pharmaceutics
While high lipophilicity tends to improve potency, its effects on pharmacokinetics (PK) are complex and often unfavorable. To predict clinical PK in early drug discovery, we built human physiologically based PK (PBPK) models integrating either (i) ma...

Application of CO Supercritical Fluid to Optimize the Solubility of Oxaprozin: Development of Novel Machine Learning Predictive Models.

Molecules (Basel, Switzerland)
Over the last years, extensive motivation has emerged towards the application of supercritical carbon dioxide (SCCO) for particle engineering. SCCO has great potential for application as a green and eco-friendly technique to reach small crystalline p...

Development of GBRT Model as a Novel and Robust Mathematical Model to Predict and Optimize the Solubility of Decitabine as an Anti-Cancer Drug.

Molecules (Basel, Switzerland)
The efficient production of solid-dosage oral formulations using eco-friendly supercritical solvents is known as a breakthrough technology towards developing cost-effective therapeutic drugs. Drug solubility is a significant parameter which must be m...

Continuous Manufacturing and Molecular Modeling of Pharmaceutical Amorphous Solid Dispersions.

AAPS PharmSciTech
Amorphous solid dispersions enhance solubility and oral bioavailability of poorly water-soluble drugs. The escalating number of drugs with poor aqueous solubility, poor dissolution, and poor oral bioavailability is an unresolved problem that requires...

Fast Prediction of Lipophilicity of Organofluorine Molecules: Deep Learning-Derived Polarity Characters and Experimental Tests.

Journal of chemical information and modeling
Fast and accurate estimation of lipophilicity for organofluorine molecules is in great demand for accelerating drug and materials discovery. A lipophilicity data set of organofluorine molecules (OFL data set), containing 1907 samples, is constructed ...

Perspective on a chemistry classification system for AI-assisted formulation development.

Journal of controlled release : official journal of the Controlled Release Society
This perspective article draws a distinction between some of the well-known drug classification systems and a "Chemistry Classification System" (CCS). Rather than have drug classification based on some simple properties like solubility and permeabili...