Alexander KM Leung - ChemISTools: A Computer Software for Chemical Information Systems

Version 1

      Publication Details (including relevant citation   information):

      Computers   and Chemistry, Vol.   21(3), 161-166 (1997)

      Abstract:

      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