StereoMapper: Clarifying Metabolite Identity Through Stereochemically Aware Relationship Assignment
Jack McGoldrick, Marco Pagni, Saleh Alwer, Joanne Cooney, Natalia Makosa, Anne Niknejad, Sébastien Moretti, Jadzia Murphy, Filippo Martinelli, Alan Bridge, Ines Thiele, Ronan M. T. Fleming
StereoMapper clarifies metabolite identity by assigning stereochemically aware relationships, achieving high performance in benchmark datasets and improving GEM accuracy.
Journal of Cheminformatics · Oct 10, 2026Peer-reviewedSystems Biology