Predictions of the ADMET properties of candidate drug molecules utilizing different QSAR/QSPR modelling approaches

M Tareq Hassan Khan - Current drug metabolism, 2010 - ingentaconnect.com
The integration of early ADMET (absorption, distribution, metabolism, excretion and toxicity)
profiling, or simply prediction, of'lead'molecules to speed-up the'lead'selection further for …

Direct in vivo human intestinal permeability (Peff) determined with different clinical perfusion and intubation methods

D Dahlgren, C Roos, E Sjögren, H Lennernäs - Journal of pharmaceutical …, 2015 - Elsevier
Regional in vivo human intestinal effective permeability (P eff) is calculated by measuring
the disappearance rate of substances during intestinal perfusion. P eff is the most relevant …

Predicting the Tigris River water quality within Baghdad, Iraq by using water quality index and regression analysis

SH Ewaid, SA Abed, SA Kadhum - Environmental Technology & Innovation, 2018 - Elsevier
The monthly water quality data sets from ten stations on the Tigris River within Baghdad for
the year 2016 were studied. The water quality index (WQI) was calculated using 11 …

Evaluation of ground water quality using multiple linear regression and structural equation modeling

I Chenini, S Khemiri - International Journal of Environmental Science & …, 2009 - Springer
A methodology for characterizing ground water quality of watersheds using hydrochemical
data that mingle multiple linear regression and structural equation modeling is presented …

[HTML][HTML] Sonochemical degradation of antibiotics from representative classes-Considerations on structural effects, initial transformation products, antimicrobial activity …

EA Serna-Galvis, D Montoya-Rodríguez… - Ultrasonics …, 2019 - Elsevier
In this work, the sonochemical treatment (at 354 kHz and 88 W L-1) of six relevant antibiotics
belonging to fluoroquinolones (ciprofloxacin and norfloxacin), penicillins (oxacillin and …

In Silico Prediction of Aqueous Solubility: The Solubility Challenge

M Hewitt, MTD Cronin, SJ Enoch… - Journal of chemical …, 2009 - ACS Publications
The dissolution of a chemical into water is a process fundamental to both chemistry and
biology. The persistence of a chemical within the environment and the effects of a chemical …

Prediction of Ketoconazole absorption using an updated in vitro transfer model coupled to physiologically based pharmacokinetic modelling

A Ruff, T Fiolka, ES Kostewicz - European Journal of Pharmaceutical …, 2017 - Elsevier
The aim of this study was to optimize the in vitro transfer model and to increase its
biorelevance to more accurately mimic the in vivo supersaturation and precipitation …

A physiologically based pharmacokinetic model to predict disposition of CYP2D6 and CYP1A2 metabolized drugs in pregnant women

AB Ke, SC Nallani, P Zhao, A Rostami-Hodjegan… - Drug Metabolism and …, 2013 - ASPET
Conducting pharmacokinetic (PK) studies in pregnant women is challenging. Therefore, we
asked if a physiologically based pharmacokinetic (PBPK) model could be used to evaluate …

Machine learning to empower electrohydrodynamic processing

F Wang, M Elbadawi, SL Tsilova, S Gaisford… - Materials Science and …, 2022 - Elsevier
Electrohydrodynamic (EHD) processes are promising healthcare fabrication technologies,
as evidenced by the number of commercialised and food-and-drug administration (FDA) …

[PDF][PDF] Preferential Solvation of Ibuprofen and Naproxen in Aqueous 1, 2-Propanediol.

Y Marcus - Acta Chimica Slovenica, 2009 - acta-arhiv.chem-soc.si
The recently published study of the solubility of ibuprofen (IBP) and naproxen (NAP) in
aqueous 1, 2-propanediol (PG) at several temperatures had as its purpose the modeling of …