Development of System Software for Estimating Physical Properties of Organic Compounds(I)——The Rediction of Organic Physical Properties

The estimation methods of organic physical properties and predictive models selection of the system software for estimating physical properties of organic compounds were introduced. And the estimating methods, input parameter and application scopes of the main physical properties were described. According to the latest research results of physical properties, the system set up a basic properties database and provided more than one estimation methods for most properties in order to complete each other. In the course of physical property prediction, system demonstrated application range, average calculated deviation, input data, etc, for each method. Users could choose one or several models to carry on physical property estimation according to one's own actual conditions, and received the satisfactory results.