Quantitative structure-pharmacokinetic relationship modelling: apparent volume of distribution
نویسندگان
چکیده
منابع مشابه
Quantitative structure-pharmacokinetic relationship (QSPkP) analysis of the volume of distribution values of anti-infective agents from J group of the ATC classification in humans.
In this study, a quantitative structure-pharmacokinetic relationship (QSPkR) model for the volume of distribution (Vd) values of 126 anti-infective drugs in humans was developed employing multiple linear regression (MLR), artificial neural network (ANN) and support vector regression (SVM) using theoretical molecular structural descriptors. A correlation-based feature selection (CFS) was employe...
متن کاملQuantitative structure-pharmacokinetic relationship (QSPkR) analysis of the volume of distribution values of anti-infective agents from J group of the ATC classification in humans
antibiotics and antiviral drugs always face a threat of resistance development, which may eventually lead to therapeutic failure. Drug discovery and development is a lengthy and costly process and many drug candidates fail at the later stages of development due to poor pharmacokinetic (PK) properties, i.e., absorption, distribution, metabolism and excretion (ADME) (1). The success rate in drug ...
متن کاملDevelopment of quantitative structure-pharmacokinetic relationships.
Quantitative structure-activity relationships (QSAR) relating biological activity to physiochemical descriptors have been successfully used for a number of years. It is also long recognized that pharmacokinetic parameters may play an important and even determinant role in drug action. This prompted several researchers to focus attention to pharmacokinetic parameters as potential descriptors in ...
متن کاملQuantitative structure—retention relationship analysis of nanoparticle compounds
Genetic algorithm and partial least square (GA-PLS), the kernel PLS (KPLS) and Levenberg-Marquardt artificial neural network (L-M ANN) techniques were used to investigate the correlationbetween retention time (RT) and descriptors for 15 nanoparticle compounds which obtained by thecomprehensive two dimensional gas chromatography system (GC x GC). Application of thedodecanethiol monolayer-protect...
متن کاملIn Silico Quantitative Structure – Pharmacokinetic Relationship Modeling on Acidic Drugs: Half Life
Objective: Drug half-life (t1/2) is one of the key pharmacokinetic parameters for establishment of dosing regimen. Surprisingly, the relationship between the chemical structure and t1/2 is still poorly explored. The aim of the present study is to derive quantitative structure – pharmacokinetic relationships (QSPkRs) for t1/2 of acidic drugs. Methods: The dataset consisted of 142 molecules which...
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ژورنال
عنوان ژورنال: Journal of Pharmacy and Pharmacology
سال: 2004
ISSN: 0022-3573,2042-7158
DOI: 10.1211/0022357022890