Nevermore: Target-Conditioned Protein-Ligand Representation Learning for Multi-Objective Lead Optimization with Database-Grounded Retrieval
Mohammad S. Refahi, Milad Amir Toutounchian, Bahrad Ali Sokhansanj…·GAIL L. ROSEN
Nevermore improves lead optimization by balancing binding affinity and developability constraints using a database-grounded framework with interpretable molecular edits.