Abstract: Apparatuses, systems, and techniques are described to generate representations of molecules having one or more targeted properties. In one or more examples, an autoencoder can be trained to generate a latent space that represents a number of molecules. The latent space can be used to train a property prediction network that includes a number of property predictors. A latent space optimization process can use the property predictors to identify regions of the latent space that represent molecules having the one or more targeted properties.

Abstract: Described are novel protease inhibitors and methods for using said protease inhibitors in the treatment of human immunodeficiency virus (HIV) infection.