A Deep Learning Approach for Rational Ligand Generation with Toxicity Control

Chemistry, Medicinal Chemistry, Information Science, Artificial Intelligence, Life Sciences, Biochemistry,
deep learning   ligand generation   toxicity control   drug design   computational model   block-based generation   molecular optimization  

Latest Research on Deep Learning Applied to Target Protein Ligand Generation: Proposal and Validation of the DeepBlock Framework Background and Research Problem In the drug discovery process, finding ligand molecules that bind to specific proteins has always been a core objective. However, current virtual screening methods are often limited by the ...