How can machine learning and multiscale modeling benefit ocular drug development?

N Wang, Y Zhang, W Wang, Z Ye, H Chen, G Hu… - Advanced Drug Delivery …, 2023 - Elsevier
The eyes possess sophisticated physiological structures, diverse disease targets, limited
drug delivery space, distinctive barriers, and complicated biomechanical processes …

How drugs get into cells: tested and testable predictions to help discriminate between transporter-mediated uptake and lipoidal bilayer diffusion

DB Kell, SG Oliver - Frontiers in pharmacology, 2014 - frontiersin.org
One approach to experimental science involves creating hypotheses, then testing them by
varying one or more independent variables, and assessing the effects of this variation on the …

Micellar solubilization of poorly water-soluble drugs: effect of surfactant and solubilizate molecular structure

Z Vinarov, V Katev, D Radeva… - Drug development …, 2018 - Taylor & Francis
Objective: This study aims to clarify the role of surfactant and drug molecular structures on
drug solubility in micellar surfactant solutions. Significance:(1) Rationale for surfactant …

[HTML][HTML] Machine learning methods for prediction of food effects on bioavailability: A comparison of support vector machines and artificial neural networks

H Bennett-Lenane, BT Griffin, JP O'Shea - European Journal of …, 2022 - Elsevier
Despite countless advances in recent decades across various in vitro, in vivo and in silico
tools, anticipation of whether a drug will show a human food effect (FE) remains challenging …

Supersaturation and precipitation of posaconazole upon entry in the upper small intestine in humans

B Hens, J Brouwers, M Corsetti, P Augustijns - Journal of pharmaceutical …, 2016 - Elsevier
The purpose of this study was to explore gastrointestinal dissolution, supersaturation and
precipitation of the weakly basic drug posaconazole in humans, and to assess the impact of …

Evaluation of two dynamic in vitro models simulating fasted and fed state conditions in the upper gastrointestinal tract (TIM-1 and tiny-TIM) for investigating the …

M Verwei, M Minekus, E Zeijdner, R Schilderink… - International journal of …, 2016 - Elsevier
Pharmaceutical research needs predictive in vitro tools for API bioavailability in humans. We
evaluated two dynamic in vitro gastrointestinal models: TIM-1 and tiny-TIM. Four low-soluble …

Exploring gastrointestinal variables affecting drug and formulation behavior: methodologies, challenges and opportunities

B Hens, M Corsetti, R Spiller, L Marciani… - International Journal of …, 2017 - Elsevier
Various gastrointestinal (GI) factors affect drug and formulation behavior after oral
administration, including GI transfer, motility, pH and GI fluid volume and composition. An in …

The dynamic gastric environment and its impact on drug and formulation behaviour

J Van den Abeele, J Rubbens, J Brouwers… - European Journal of …, 2017 - Elsevier
Before being absorbed in the small intestine and/or colon, orally administered drugs
inevitably need to pass through the stomach. Hence, it seems reasonable that the residence …

Model-Based Analysis of Biopharmaceutic Experiments To Improve Mechanistic Oral Absorption Modeling: An Integrated in Vitro in Vivo Extrapolation Perspective …

SM Pathak, A Ruff, ES Kostewicz, N Patel… - Molecular …, 2017 - ACS Publications
Mechanistic modeling of in vitro data generated from metabolic enzyme systems (viz., liver
microsomes, hepatocytes, rCYP enzymes, etc.) facilitates in vitro–in vivo extrapolation …

Oral drug absorption in pediatrics: the intestinal wall, its developmental changes and current tools for predictions

JM Nicolas, F Bouzom, C Hugues… - … & drug disposition, 2017 - Wiley Online Library
The dissolution, intestinal absorption and presystemic metabolism of a drug depend on its
physicochemical characteristics but also on numerous physiological (eg gastrointestinal pH …