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Fig. 11 | Journal of Cheminformatics

Fig. 11

From: A graph-based approach to construct target-focused libraries for virtual screening

Fig. 11

Synthetic accessibility of molecules generated by eSynth. a Average ± standard deviation synthetic accessibility score (SAscore) calculated for molecules constructed by eSynth for individual DUD-E targets (sorted on the x-axis). b Violin plots showing the distribution of SAscore values across several datasets: decoy and active DUD-E compounds, FDA approved drugs, molecules generated by eSynth for the DUD-E targets, and natural products (NP) from the NuBBE and UNPD databases. Red horizontal lines correspond to the median SAscore values

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