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Weighed against the spectra observed in answer, it really is, apriori , tough to ascertain whether a dye is likely to show hypsochromic (H) or bathochromic (J) aggregation, until after adsorption on the semiconductor electrode. Herein, we reveal that molecular fingerprint-based techniques supply an easy and efficient option to discriminate between H- and J-aggregating dyes. The effectiveness regarding the fingerprint-based category models is shown with a varied set of over 3000 natural dy