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本项工作是在有机概念图的基础上，完成化合物的有机性和无机性数值的计算，为药物分子物化性质的计算以及构效关系的研究提供了非常有益的信息。
This work is based on the organic conceptual map to complete the calculation of organic and inorganic compounds for the calculation of the physical and chemical properties of drug molecules and structure-activity relationship provides a very useful information.