摘要
The molecular similarity of 139 organic compounds was calculated by the topologic index method, the flexible super-ball algorithm was used to scan similar molecules and structures. The results show that the properties of organic compounds estimated from this method are reliable.
The molecular similarity of 139 organic compounds was calculated by the topologic index method, the flexible super-ball algorithm was used to scan similar molecules and structures. The results show that the properties of organic compounds estimated from this method are reliable.
基金
the National Natural Science Foundation of China(Grant No. 29767001).
