Unique description of chemical structures based on hierarchically ordered extended connectivities (HOC procedures). VIII. General principles for computer implementation
Nikolai Ralev, Stoyan H. Karabunarliev, Ovanes G. Mekenyan, Danail Bonchev, Alexandrù T. Balaban · Journal of Computational Chemistry · 1985
Abstract The computer implementation of the HOC procedures presented in Parts I, II and III of this series is based on the module principle. It contains a main program and seventeen subroutines in Fortran IV. The system is able to provide unique atom numbering and code for all kinds of chemical compounds in their tremendous variety of structures.