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Fig. 5 | Journal of Cheminformatics

Fig. 5

From: ChemEngine: harvesting 3D chemical structures of supplementary data from PDF files

Fig. 5

A schematic diagram highlighting the challenges posed by the diverse coordinate formats present in the supplementary table of journal articles selected for this study. ChemEngine identifies the text patterns and processes this information to yield a common generic format of coordinate matrix. Further the bond matrix algorithm implemented in the program generates a bond matrix for the creation of a connection table to generate the ready to compute 3D molecular structure. AN atomic number, AS atomic symbol, CT connection table

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