Morphological Profiling for Drug Discovery in the Era of Deep Learning

no code implementations • 13 Dec 2023 • Qiaosi Tang, Ranjala Ratnayake, Gustavo Seabra, Zhe Jiang, Ruogu Fang, Lina Cui, Yousong Ding, Tamer Kahveci, Jiang Bian, Chenglong Li, Hendrik Luesch, Yanjun Li

Additionally, we illuminate the application of morphological profiling in phenotypic drug discovery and highlight potential challenges and opportunities in this field.

Cell Segmentation Drug Discovery +2

QuTIE: Quantum optimization for Target Identification by Enzymes

no code implementations • 13 Mar 2023 • Hoang M. Ngo, My T. Thai, Tamer Kahveci

Target Identification by Enzymes (TIE) problem aims to identify the set of enzymes in a given metabolic network, such that their inhibition eliminates a given set of target compounds associated with a disease while incurring minimum damage to the rest of the compounds.