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. 2024 Jun 21;16:73. doi: 10.1186/s13321-024-00863-8

Table 4.

Table for comparing multiple property conditions for 10k generated molecules to other models

Model Novelty [%] Uniqueness [%] Validity [%] LogP {2, 4, 6} MAD SAScore {2, 3, 4} MAD Molecular Weight {2, 3, 4} MAD
Llamol 88.9 99.5 98.95 0.20 0.13
86.4 89.5 99.1 0.20 0.04
86.3 99.3 99.5 0.10 0.04
89.8 94.9 98.5 0.24 0.18 0.05
MolGPT 100.0 99.2 97.2 0.25 0.14
GraphGPT 100.0 99.1 97.1 0.252 0.151