The development of system software for estimating physical properties of organic compounds (I) ——The prediction of organic physical properties

This paper introduces the estimation methods of organic physical properties and predictive models selection of the system software for estimating physical properties of organic compounds.And it describes the estimating methods,input parameter and application scopes of the main physical properties.According to the latest research results of physical properties,the system sets up a basic properties database and provides more than one estimation methods for most properties in order to complete each other.In the course of physical property prediction,system demonstrates application range, average calculated deviation,input data,etc.for each method.Users can choose one or several models to carry on physical property estimation according to one's own actual conditions, and receive the satisfactory results.