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.

错误:搜索内容不能为空,请输入英文关键词
错误:关键词超出字数限制,请精简
高级检索

Hierarchy of Descriptors: From Topology to Bio-descriptors

  • Marjan Vračko,
  • Subhash C. Basak

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.