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Fig. 6 | Journal of Cheminformatics

Fig. 6

From: An algorithm to classify homologous series within compound datasets

Fig. 6

Examples of homologous series classified by OngLai that were not categorised by splitFAS because ‘No splittable bond [was] found’. Labels correspond to the ‘ID_in_OECD_list’ and ‘CAS’ fields given in the splitPFAS XLSX results file respectively; molecules from the splitPFAS dataset (series_no = 10, 109, and 116, Additional file 1: Sect. 2)

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