Handling of computational in vitro/in vivo correlation problems by Microsoft Excel: V. Predictive absorbability models.
This paper discusses Excel applications related to the prediction of drug absorbability from physicochemical constants. PHDISSOC provides a generalized model for pH profiles of electrolytic dissociation, water solubility, and partition coefficient. SKMODEL predicts drug absorbability, based on a log-log plot of water solubility and O/W partitioning; augmented by additional features such as electrolytic dissociation, melting point, and the dose administered. GIABS presents a mechanistic model of g.i. drug absorption. BIODATCO presents a database compiling relevant drug data to be used for quantitative predictions.
Langenbucher
Frieder
F
BioVista LLC, Riehen, Switzerland. langenbucher.fr@bluewin.ch
D000042:Absorption; D002626:Chemistry, Pharmaceutical / Q000706:statistics & numerical data*; D003198:Computer Simulation; D016208:Databases, Factual; D004573:Electrolytes / Q000737:chemistry; D005544:Forecasting; D006863:Hydrogen-Ion Concentration; D007700:Kinetics; D015233:Models, Statistical; D008970:Molecular Weight; D004364:Pharmaceutical Preparations / Q000737:chemistry; D021281:Quantitative Structure-Activity Relationship; D012984:Software; D012995:Solubility
D004573:Electrolytes; D004364:Pharmaceutical Preparations