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Fig. 9 | Journal of Cheminformatics

Fig. 9

From: Molecular identification via molecular fingerprint extraction from atomic force microscopy images

Fig. 9

Chemical identification on experimental images. Molecules from first to last row are 1-Bromo-3,5-dichlorobenzene [65] (CID: 29,766), 2-iodotriphenylene [66] (CID: 88,955,426), PTCDA [65] (3,4,9,10-Perylenetetracarboxylic dianhydride CID: 67,191) and 2,7-Dibromopyrene [67] (CID: 13,615,479). The predicted chemical formula correctly solves the tie for the 2-iodotriphenylene molecule, predicting the GT molecule, but fails for PTCDA. In all cases, we extract meaningful chemical information from the experimental image stack

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