Samuel Hoffman

CogMol: Target-Specific and Selective Drug Design for COVID-19 Using Deep Generative Models

The novel nature of SARS-CoV-2 calls for the development of efficient de novo drug design approaches. In this study, we propose an end-to-end framework, named CogMol (Controlled Generation of Molecules), for designing new drug-like small molecules targeting novel viral proteins with high affinity an…