Publication Details (including relevant citation information):
Computers and Chemistry, Vol. 21(3), 161-166 (1997)
A computer software package ChemISTools (Chemical Information System Tools) has been developed to provide an easy way to generate modified Dyson-IUPAC (DIP) notations, structure diagrams, and connection tables from chemical formulas of organic compounds. The aim of this work is to minimize the time for data input and provide an alternative method to access library searching systems of chemicals. The package consists of three sub-programs, namely ChemGLIN, ChemDING and ChemCT for converting, respectively, chemical structures to the corresponding DIP notations, and the DIP notations to chemical structures and connection tables. With slight modification of the output files, the software can be used for some existing on-line library searching systems such as Chemical Abstracts Services.
Address (URL): http://dx.doi.org/10.1016/S0097-8485(96)00028-9