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Fig. 3 | Journal of Cheminformatics

Fig. 3

From: Systemic evolutionary chemical space exploration for drug discovery

Fig. 3

Properties of the randomly generated library. AC shows the distribution of MW, Fsp3, and LogP of molecules in the random library, respectively. D The PMI plot illustrates the shape of sampled molecules from the randomly generated library. The top-left vertex represents rod-shaped, the top-right vertex represents sphere-shaped, and the bottom vertex represents disc-shaped

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