Structural Characterization and Properties Simulation of Compounds.

      Аннотация: The structure of compound affects its properties, while the properties are the reflections of the structure. It is important to study the quantitative relationship between the structure and properties of the compounds for prediction the properties of unknown compounds and to guide the design of new compounds. In this book, the relationships between the structure and properties of many species of compounds have been studied. The obtained models have good prediction ability and strong stability. It has certain reference value for the further research and development of QSRR, QSPR, QSAR and QSSR of organic compounds.

Ключевые слова: Organic Compounds, structural descriptors, molecular structure characterization, quantitative structure-property relations