Hierarchy of Descriptors: From Topology to Bio-descriptors
摘要
Molecular descriptors and biodescriptors quantify different structural aspects of small molecules and biomolecules. Different mathematical approaches are used to quantify salient aspects of molecular and biomolecular strucuraes. This chapter discusses the nature and methods of calculations of various classes of chemodescripotors and biodescriptors developed and used by reseaerchers during the past century.