A method for the machine detection of near equivalence of major substructures in a molecule
MALCOLM M. BERSOHN, Shizuo Fujiwara, Yuzuru Fujiwara · Journal of Computational Chemistry · 1986
The use of the concept of near equivalence of substructures in a computer program concerned with organic synthesis requires a concrete definition of «nearness» and an efficient method for implementing the concept. Such a method has been devised and its use is described and examples are given.