QSARs for PBPK modelling of environmental contaminants

Quantitative structure-activity relationships (QSARs) for inhibitors and substrates of CYP2B enzymes: importance of compound lipophilicity in explanation of potency differences

(2010) David FV Lewis et al.   JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY

Quantitative property–property relationships for computing Occupational Exposure Limits and Vapour Hazard Ratios of organic solvents

(2010) M. Debia et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

A unified algorithm for predicting partition coefficients for PBPK modeling of drugs and environmental chemicals

(2010) Thomas Peyret et al.   TOXICOLOGY AND APPLIED PHARMACOLOGY

Prediction of hepatic microsomal intrinsic clearance and human clearance values for drugs

(2009) Katarina Nikolic et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

First-principle, structure-based prediction of hepatic metabolic clearance values in human

(2008) Haiyan Li et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Structure – ADME relationship: still a long way to go?

(2008) Tingjun Hou et al.   Expert Opinion on Drug Metabolism & Toxicology

Considerations and recent advances in QSAR models for cytochrome P450-mediated drug metabolism prediction

(2008) Haiyan Li et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Development of good modelling practice for physiologically based pharmacokinetic models for use in risk assessment: The first steps

(2008) George Loizou et al.   REGULATORY TOXICOLOGY AND PHARMACOLOGY

An integrated QSPR–PBPK modelling approach forin vitro–in vivoextrapolation of pharmacokinetics in rats†

(2008) E. Kamgang et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

General approach for the calculation of tissue to plasma partition coefficients

(2007) Walter Schmitt   TOXICOLOGY IN VITRO