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The performance of heteroencoder in both the training and test sets
| Dataset | # compounds | Validity (%) | Reconstruction error (%) |
|---|---|---|---|
| Training set | 974,105 | 99 | 18 |
| Test set | 10,823 | 98 | 20 |
Percent of valid SMILES strings generated by the decoder (validity), percent of molecules not reconstructed correctly from valid SMILES (reconstruction error)
