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Description
A generative AI framework was then employed to link and optimize fragments into complete molecules, leading to the identification of four lead compounds with favorable selectivity and drug-like properties after rigorous filtering
10.3390/MOLECULES30132802 71
doi: 10.1038/s41467-024-54132-1
Arnold MR, Kremer W, Ldemann HD, Kalbitzer HR
& Ghajar, J
Extracellular thiol-assisted selenium uptake dependent on the x(c)- cystine transporter explains the cancer-specific cytotoxicity of selenite
