Computational Medicinal Chemistry for Drug Discovery by Patrick Bultinck
1 edition | English | December 1, 2003 | ISBN: 0824747747 | Pages: 1169 | PDF | 18,6 MB
Presents semi-empirical, hybrid, and quantum chemical methods and explores reactivity, molecular, and quantum-chemical descriptors in QSAR. Views pharmacophore discovery and the use of 3D pharmacophore models in 3D database searching. Studies vibrational circular dichroism spectroscopy for the sterochemical characterization of chiral molecules.