New Types of Descriptors and Models in QSAR/QSPR
Christian Krämer, Timothy Clark · 2012
This chapter contains sections titled: Introduction Local Properties Descriptors Derived from Local Properties MEP as Descriptor for Hydrogen-Bonding Strengths ParaSurf (Politzer–Murray) Descriptors 4D: Conformational-Ensemble-based Descriptors Proper Validation/Generation of QSA(P)R Models Conclusions References