H‐Bonding Parameterization in Quantitative Structure–Activity Relationships and Drug Design
Oleg A. Raevsky · Methods and principles in medicinal chemistry · 2007
This chapter contains sections titled: Introduction Two-dimensional H-bond Descriptors Indirect H-bond Descriptors Indicator Variables Two-dimensional Thermodynamics Descriptors Three-dimensional H-bond Descriptors Surface H-bond Descriptors SYBYL H-bond Parameters Distance H-bond Potentials Application of H-bond Descriptors in QSAR Studies and Drug Design Solubility and Partitioning of Chemicals in Water–Solvent–Gas Systems Permeability and Absorption in Humans Classification of Pharmacokinetic Properties in Computer-aided Selection of Useful Compounds Chemical Interactions with Biological Targets Aquatic Toxicity Conclusions