Defining Known Drug Space Using DFT
(2015)
Journal Article
Matuszek, A. M., & Reynisson, J. (2016). Defining Known Drug Space Using DFT. Molecular Informatics, 35(2), 46-53. https://doi.org/10.1002/minf.201500105
A density functional theory (DFT) study was performed on a collection of clinically approved drugs, or Known Drug Space (KDS), to determine the statistical distribution of four properties: dipole moment (DM), polarisability (POL), ionisation potentia... Read More about Defining Known Drug Space Using DFT.