Generative molecular reconstruction By construction, all compounds generated by NGT are chemically valid. To quantitatively understand a measure of recall for NGT, we calculated the average per-compound reconstruction likelihoods across a large number of diverse products sampled from the library. This metric assesses the model's ability to accurately reconstruct the complete molecular graph and approximates the probability of successfully reproducing the query molecule through the decoder. The average top-N reconstruction accuracy ranges from over 62% (top-1) to 95% (top-1,000), suggesting that NGT adequately covers UnREAL (Table ).