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Images of chemical molecules can be produced, manipulated, simulated and analyzed using sophisticated chemical software. However, in the process of publishing such images into scientific literature, all their chemical significance is lost. Although images of chemical molecules can be easily analyzed by the human expert, they cannot be fed back into chemical software and loose much of their potential...
We have developed a system for the automatic reconstruction of chemical molecules from images. The system takes as input an electronically produced image of a chemical molecule and produces an SDF file containing the complete chemical description of the molecule. The SDF file can then be read and used by most chemical computer programs. Our system finds extensive application in information extraction...
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