TMC-LewisGen: Automated Generation of Lewis-like Structures for Transition–Metal Complexes
Abstract Lewis structures constitute a foundational language in chemical education, mechanistic reasoning, synthesis, and modern cheminformatics. With the accelerating shift toward data-driven and AI-assisted molecular science, the ability to rapidly generate Lewis-like representations, including RDKit-parsable SMILES,...
Reecy-Z, Jingyuan Zhu, Sin Hang Tong et al.
· Journal of Chemical Informat... · 0 citations