Differential Molecular Connectivity in Data-Base Fragment Searching
- 1 January 1989
- journal article
- research article
- Published by Springer Nature in Pharmaceutical Research
- Vol. 06 (6) , 497-500
- https://doi.org/10.1023/a:1015972508135
Abstract
A general scheme is described in which molecular fragments are coded from molecular connectivity values. Specifically a fragment is described by the difference between a simple connectivity index of a certain order and the valence connectivity index of the same order. This numerical value is then used to search for that particular fragment among stored fragment values associated with a molecular connectivity calculation. Examples illustrate the method.This publication has 1 reference indexed in Scilit:
- THE DESIGN OF COMPUTING SYSTEMS FOR MOLECULAR MODELINGAnnual Review of Biophysics and Bioengineering, 1976