Skip to main content

Advertisement

Table 2 A selection of 24 fragment-like molecules obtained from GDB-13 with frequency 0, 5, 10, 15, 20 and 25. The molecules are sorted top to bottom by frequency and left to right by average negative log-likelihood (NLL) of the 25 models. A random sample of 10 million molecules annotated with the frequency and the average NLL is available for download (http://gdb.unibe.ch/downloads)

From: Exploring the GDB-13 chemical space using deep generative models