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. 2019 May 24;11:35. doi: 10.1186/s13321-019-0355-6

Fig. 6.

Fig. 6

Comparison of the properties of generated molecules by the pre-trained (a) and fine-tuned models (b) and molecules in the ZINC set (a) and the A2AR set (b), respectively. These properties included the number of hydrogen bond acceptors/donors, rotatable bonds, aliphatic rings, aromatic rings, and heterocycles