VolSurf: a new tool for the pharmacokinetic optimization of lead compounds

A method for the modeling and prediction of pharmacokinetic properties based on computed molecular interaction fields and multivariate statistics has been investigated in different experimental datasets. The program VolSurf was used to correlate 3D molecular structures with physico–chemical and phar...

Ausführliche Beschreibung

Gespeichert in:

Bibliographische Detailangaben
Veröffentlicht in:	European journal of pharmaceutical sciences 2000-10, Vol.11, p.S29-S39
Hauptverfasser:	Cruciani, Gabriele, Pastor, Manuel, Guba, Wolfgang
Format:	Artikel
Sprache:	eng
Schlagworte:	Animals Biological and medical sciences Blood-Brain Barrier - drug effects Blood-Brain Barrier - physiology Blood–brain barrier Caco-2 cell culture Caco-2 Cells Computer-Aided Design General pharmacology Humans Lead - pharmacokinetics MDCK cell culture Medical sciences Membrane partitioning Models, Chemical Models, Molecular Molecular interaction fields Molecular Structure Pharmacokinetics. Pharmacogenetics. Drug-receptor interactions Pharmacology. Drug treatments Software Virtual screening VolSurf
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!

Schreiben Sie den ersten Kommentar!