WEININGER D

DAYLIGHT CHEM INFORMAT SYST,111 RUE IBERVILLE,610 NEW ORLEANS LA 70130

The DEPICT program converts SMILES, the linear notation of a chemical structure's molecular graph, into a depiction of molecular structure without user interaction. The resulting two-dimensional output display allows all aspects of SMILES representation of structure to be verified easily, including aromaticity, formal charge, bond order assignment, and hydrogen attachment. DEPICT is particularly well suited for computer-generated structures since it requires no manual or structural input. It is designed for use with SMILES notation, a lexical form of a connection table, and it follows that any other connection table can also be used with DEPICT provided only that its input is first converted to SMILES.

Catagories INFORMATION SCIENCE & LIBRARY SCIENCE; COMPUTER APPLICATIONS, CHEMISTRY & ENGINEERING; COMPUTER APPLICATIONS & CYBERNETICS; CHEMISTRY

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES,30(#3),1990,237-243