In silico modelling of ADMET—a minireview of work from 2000 to 2004

Abstract

This article represents a minireview of work published so far in the 21st century in the in silico ADMET field of research related to investigations in the areas of solubility, hERG and cytochrome P450 3A4. Various approaches including 2D- and 3D-QSARs and pharmacophore modelling are discussed. The pros and cons of the methods used and models derived are examined. More general remarks on model development and validation are also reported.

Keywords:

• In silico ADMET
• QSAR
• Pharmacophores
• Validation

Notes

Presented at the 11th International Workshop on Quantitative Structure–Activity Relationships in the Human Health and Environmental Sciences (QSAR2004), 9–13 May 2004, Liverpool, England.

Additional information

Notes on contributors

U. Norinder

Presented at the 11th International Workshop on Quantitative Structure–Activity Relationships in the Human Health and Environmental Sciences (QSAR2004), 9–13 May 2004, Liverpool, England.