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. Author manuscript; available in PMC: 2024 Jul 25.
Published in final edited form as: J Chem Inf Model. 2023 Sep 12;63(18):5803–5822. doi: 10.1021/acs.jcim.3c01031

Figure 10.

Figure 10.

QED, SynthA, TPSA and LogP distributions obtained using D3N-drugc (red), D3N-loose (gray shade) and D3N-narrrow (purple) in 57 protein binding sites starting from 15 fragments as anchors. D3N-drugc and D3N-loose target ranges listed in Table 3. D3N-narrow target ranges shown in purple above each plot. Bottom panels compare distributions for the D3N-drugc rejected (dashed red) and accepted (solid red) molecules. Distributions obtained by kernel density estimation. TPSA values in angstroms squared.

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