Bultinck P., Tollenaere J., Langenaeker W. — Computational Medicinal Chemistry for Drug Discovery
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Название: Computational Medicinal Chemistry for Drug Discovery
Авторы: Bultinck P., Tollenaere J., Langenaeker W.
Аннотация:
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.
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