Highly Selective Novel Heme Oxygenase-1-Targeting Molecules Discovered by DECL-Machine Learning (ML) Model beyond the DECL Chemical Space
A Machine Learning (ML) approach was integrated with DNA-encoded chemical library (DECL) screening to facilitate the identification of highly selective compounds targeting Heme oxygenase-1 (HO-1) compared to its counterpart, HO-2 (the ferric-heme bound form, Holo HO-2). HO-1 and HO-2 are principal enzymes within the HO family, known for their roles in inflammation and oxidative stress … Read more