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. 2023 Nov 25;24(23):16761. doi: 10.3390/ijms242316761

Figure 3.

Figure 3

Distribution of molecular properties generated when specifying multiple properties using a model trained on the GuacaMol dataset. SAS and TPSA (A), logP and TPSA (B), SAS and logP (C), SAS, logP and TPSA (D). The legend in the upper right-hand corner represents the combinations of molecular properties that we defined.