Developmentof molecular fingerprints based on electron density critical points: application to cytochrome P450 inhibition

Project: PHD

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Status	Finished
Effective start/end date	30/09/04 → 30/09/08

Fragment-Based Prediction of Cytochromes P450 2D6 and 1A2 Inhibition by Recursive Partitioning
Burton, J., Danloy, E. & Vercauteren, D. P., 1 Jan 2009, In: SAR QSAR Environ. Res.. 20, p. 185-205 21 p.
Research output: Contribution to journal › Article › peer-review
Can Descriptors of the Electron Density Distribution Help to Distinguish Functional Groups?
Burton, J., Meurice, N., Leherte, L. & Vercauteren, D., 1 Oct 2008, In: Journal of chemical information and modeling. 48, 10, p. 1974-1983 10 p.
Research output: Contribution to journal › Article › peer-review
In Silico Molecular Similarity and Complementarity Based on the Electron Density
Becue, A., Burton, J., Dury, L., Hansenne, C., Larin, A., Latour, T., Leherte, L., Meurice, N., Petit, J. & Vercauteren, D., 2007, In: Chimie nouvelle. 94, p. 14-21 8 p.
Research output: Contribution to journal › Article › peer-review

Project Details