William Lafayette Roberts

Multi-Objective Molecular Generation with Frequency-Controlled Evolutionary Dynamics

Elia Colleoni, Paolo Guida, Didier Barradas-Bautista, William Lafayette Roberts

Molecule generation methods that leverage generative models have been successfully applied to drug discovery. However, they often require extensive pre-training, suffer statistical biases in the training data, and might suffer from limited interpretability of generated chemical s…Read more