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Fig. 2 | Journal of Cheminformatics

Fig. 2

From: Spectrophores as one-dimensional descriptors calculated from three-dimensional atomic properties: applications ranging from scaffold hopping to multi-target virtual screening

Fig. 2

Correlation plots between the four atomic properties that were used to calculate spectrophores. Correlation coefficients are also given for each property pair. Atomic properties were calculated from a randomly selected subset of 10,000 compounds from the DUD-E database [45, 46]. The lipophilicities are discrete since there only 12 different atomic lipophilic properties (see Table 2 below)

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