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. 2017 Dec 13;37(1-2):1700123. doi: 10.1002/minf.201700123

Table 2.

Exemplary sequence reconstruction.

Generated Sequence Valid
Target sequence Cc1ccc2c(c1)sc1c(=O)[nH]c3ccc(C(=O)NCCCN(C)C)cc3c12
NoTeacher VAE Cc1ccc2cnc1)sc1c(=O)[nH]c3ccc(C(=O)NCCCN(C)C)c33c12 No
Teacher VAE Cc1ccc2c(c1)sc1c(=O)[nH]c3ccc(C(=O)NCCN(C)C)cc3c12 Yes
Gauss AAE Cc1ccc2c(c1)sc1c(=O)[nH]c3ccc(C(=O)NCCCN(C)C)cc3c12 Yes
Uniform AAE Cc1ccc2c(c1)sc1c(=O)[nH]c3ccc(C(=O)NCCCN(C)C)cc3c12 Yes