CHEMISTOOLS - A COMPUTER SOFTWARE FOR CHEMICAL INFORMATION-SYSTEMS

A computer software package ChemISTools (Chemical Information System T ools) has been developed to provide an easy way to generate modified D yson-IUPAC (DIP) notations, structure diagrams, and connection tables from chemical formulas of organic compounds. The aim of this work is t o minimize the time for data input and provide an alternative method t o access library searching systems of chemicals. The package consists of three sub-programs, namely ChemGLIN, ChemDING and ChemCT for conver ting, respectively, chemical structures to the corresponding DIP notat ions, and the DIP notations to chemical structures and connection tabl es. With slight modification of the output files, the software can be used for some existing on-line library searching systems such as Chemi cal Abstracts Services. (C) 1997 Elsevier Science Ltd.