Regression methods for developing QSAR and QSPR models to predict compounds of specific pharmacodynamic, pharmacokinetic and toxicological properties

CW Yap, H Li, ZL Ji, YZ Chen - Mini reviews in medicinal …, 2007 - ingentaconnect.com
Quantitative structure-activity relationship (QSAR) and quantitative structure-property
relationship (QSPR) models have been extensively used for predicting compounds of …

Advanced pharmacokinetic models based on organ clearance, circulatory, and fractal concepts

KS Pang, M Weiss, P Macheras - The AAPS Journal, 2007 - Springer
Three advanced models of pharmacokinetics are described. In the first class are
physiologically based pharmacokinetic models based on in vitro data on transport and …

Classification of drugs in absorption classes using the classification and regression trees (CART) methodology

E Deconinck, T Hancock, D Coomans… - … of Pharmaceutical and …, 2005 - Elsevier
Classification and regression trees (CART) were evaluated for their potential use in a
quantitative structure-activity relationship (QSAR) context. Models were build using the …

Physiologically based pharmacokinetic modeling of renally cleared drugs in pregnant women

A Dallmann, I Ince, J Solodenko, M Meyer… - Clinical …, 2017 - Springer
Background Since pregnant women are considerably underrepresented in clinical trials,
information on optimal dosing in pregnancy is widely lacking. Physiologically based …

Estimation of volume of distribution in humans from high throughput HPLC-based measurements of human serum albumin binding and immobilized artificial …

F Hollósy, K Valkó, A Hersey, S Nunhuck… - Journal of medicinal …, 2006 - ACS Publications
The volume of distribution (VD) in humans of 179 known drug molecules (acids, bases, and
neutrals) has been modeled using two biomimetic-binding measurements. The phospholipid …

Quantitative structure–pharmacokinetic relationships for drug clearance by using statistical learning methods

CW Yap, ZR Li, YZ Chen - Journal of Molecular Graphics and Modelling, 2006 - Elsevier
Quantitative structure–pharmacokinetic relationships (QSPkR) have increasingly been used
for the prediction of the pharmacokinetic properties of drug leads. Several QSPkR models …

A theoretical mathematical model for assessing diclofenac release from chitosan-based formulations

MM Iftime, DL Dobreci, SA Irimiciuc, M Agop… - Drug Delivery, 2020 - Taylor & Francis
The paper reports a new mathematical model for understanding the mechanism delivery
from drug release systems. To do this, two drug release systems based on chitosan and …

Fractal pharmacokinetics

LM Pereira - Computational and Mathematical methods in …, 2010 - Wiley Online Library
Pharmacokinetics (PK) has been traditionally dealt with under the homogeneity assumption.
However, biological systems are nowadays comprehensively understood as being …

A Multifractal Vision of 5-Fluorouracil Release from Chitosan-Based Matrix

MA Paun, VA Paun, VP Paun - Gels, 2022 - mdpi.com
A suite of four drug deliverance formulations grounded on 5-fluorouracil enclosed in a
chitosan-founded intercellular substance was produced by 3, 7-dimethyl-2, 6-octadienal with …

Quantitative structure–pharmacokinetics relationships analysis of basic drugs: volume of distribution

ZD Zhivkova, T Mandova… - Journal of Pharmacy & …, 2015 - journals.library.ualberta.ca
Purpose. The early prediction of pharmacokinetic behavior is of paramount importance for
saving time and resources and for increasing the success of new drug candidates. The …