COMPUTATIONAL PERCEPTION AND RECOGNITION OF DIGITIZED MOLECULAR-STRUCTURES

Molecular structures containing both common and special alphanumeric characters are efficiently recognized by a program written in C. The program was designed to process type- and hand-printed structures. A scanner digitizes the corresponding images. Treatment of the binary information obtained in this way includes molecular graph perception and character recognition. Known and new image processing methods for molecular graph perception and an intelligent pattern-recognition principle for character processing were used. A graphic interface allows one to display and manipulate the recognized molecular images. Applications of the software to different areas such as molecular design, automatic input of structures to databases like ARIUSA, and others are also presented. © 1990, American Chemical Society. All rights reserved.