This article is part of the supplement: 3rd German Conference on Chemoinformatics: 21. CIC-WorkshopThe use of quantum chemistry in the prediction of ADME-Tox propertiesDepartment of Inorganic and Physical Chemistry, University of Ghent, Krijgslaan 281 S3, B-9000 Gent, Belgium
Goslar, Germany. 11-13 November 2007 Chemistry Central Journal 2008, 2(Suppl 1):P16doi:10.1186/1752-153X-2-S1-P16
First paragraph (this article has no abstract)ADME-Tox properties are very important in pharmaceutical research, determining the fate of many molecules in the drug design sequence. Knowledge of ADME-Tox properties in the earliest stages of drug design is therefore highly desirable. The aim of this investigation is to construct low throughput in silico QSAR models in which ADME-Tox properties of single compounds are predicted with high accuracy based on Quantum Chemical information [1]. |




on Google Scholar





corresponding author email