Surface H-bond Descriptors

PSA is also used as H-bond descriptor to predict various properties of chemicals and drugs. PSA is defined as that part of a molecular surface that arises from oxygen and nitrogen atoms, and also the hydrogens attached to them. Applications of PSA as a QSAR descriptor in correlations with permeability and absorption were carried out first by Van de Waterbeemd et al. [30] and Palm et al. [31]. Clark [32-34] developed this further. Chapter 5 in this book is completely devoted to 

Van der Waals acceptor surface area which is proportional to EfiS, 39] 

---