R-GroundBench: A Diagnostic Benchmark for R-Group Groundingin Markush Molecular Editing

Excerpt

arXiv:2610.00700v1 Announce Type: cross Abstract: Recent advances in AI for scientific discovery enable molecular understandingand design, yet reasoning over incomplete chemical representations remainsunclear.Markush structures, which encode molecular families through variable R-groupplaceholders (\textit{R\textsubscript{1}}, \textit{R\textsubscript{2}}, \textit{X}, etc.), are ubiquitous in pharmaceutical patents and requiregrounding across molecular, textual, and chemical information.However, e