Fig. 6From: Small molecule autoencoders: architecture engineering to optimize latent space utility and sustainabilityLatent space evaluation for chemical similarity. The PCAs show the latent representations of 10,000 random molecules (gray) and three test molecules (coloured dots). Enumerated versions of the test molecules are represented as crosses. Every panel represents a different model as indicated above. The percentages of each principal component indicate the amount of variance that they representBack to article page