Julien Burton

  • Citations Per Year
Learn More
The purpose of this study was to explore the use of detailed biological data in combination with a statistical learning method for predicting the CYP1A2 and CYP2D6 inhibition. Data were extracted from the Aureus-Pharma highly structured databases which contain precise measures and detailed experimental protocol concerning the inhibition of the two(More)
Early prediction of ADME properties such as the cytochrome P450 (CYP) mediated drug-drug interactions is an important challenge in the drug discovery area. In this study, we propose to couple an original data mining approach based on Rough Set Theory (RST) to a structural description of molecules. The latter was achieved by using two types of structural(More)
Cytochromes P450 (CYPs) are crucial targets when predicting the ADME properties (absorption, distribution, metabolism, and excretion) of drugs in development. Particularly, CYPs mediated drug-drug interactions are responsible for major failures in the drug design process. Accurate and robust screening filters are thus needed to predict interactions of(More)
Our study is aimed at understanding the characteristics of functional group descriptors based on peaks of the electronic density distribution rho(->r) . The descriptors calculated are the rho(->r) value at peak location, volume, ellipticity, curvatures of rho ( r) , and the peak-functional group distance. By the implementation of an automated and global(More)
  • 1