On-line storage and retrieval of chemical information. I. Structure entry.
An interactive program has been developed for entering, verifying, and storing chemical structures encoded in the Wiswesser Line Notation. The program calculates a molecular formula from the WLN for checking and then generates a bit string fragment code and connection table of the atoms in the structure. The encoding and entry of the WLN using a CRT has significantly improved the speed of the total compound registration process.
D003201:Computers; D003626:Data Display; D004345:Drug Industry; D004346:Drug Information Services; D009862:Online Systems