research
∙
10/22/2022
Faster and more diverse de novo molecular optimization with double-loop reinforcement learning using augmented SMILES
Molecular generation via deep learning models in combination with reinfo...
research
∙
06/25/2018
Improving Chemical Autoencoder Latent Space and Molecular De novo Generation Diversity with Heteroencoders
Chemical autoencoders are attractive models as they combine chemical spa...
research
∙
12/27/2017