On the Use of Quantum Mechanical Solvation Continuum Models in Drug Design: IEF/PCM-MST Hydrophobic Descriptors in 3D-QSAR Analysis of AMPA Inhibitors

doi:10.1201/9781351170963-28

Chapter

On the Use of Quantum Mechanical Solvation Continuum Models in Drug Design: IEF/PCM-MST Hydrophobic Descriptors in 3D-QSAR Analysis of AMPA Inhibitors

ABSTRACT

Drug Design ...................................................................................524 19.4 The QM Continuum Solvation MST Model ..................................527 19.5 3D-QSAR MST-Based Analysis of AMPA Inhibitors:

A Test Case .....................................................................................529 19.6 Conclusions ....................................................................................538