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

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.

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[19]  Johann Gasteiger,et al.  Prediction of Aqueous Solubility of Organic Compounds Based on a 3D Structure Representation , 2003, J. Chem. Inf. Comput. Sci..

[20]  Hongmao Sun,et al.  A Universal Molecular Descriptor System for Prediction of LogP, LogS, LogBB, and Absorption , 2004, J. Chem. Inf. Model..

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