arXiv:2606. 03660v1 Announce Type: new Abstract: Large language models are increasingly used as chemistry assistants, yet most chemistry benchmarks still score only final answers.
By Hongyu Guo, Hao Li, He Cao, Gongbo Zhang, Li Yuan
arXiv:2607. 01061v1 Announce Type: new Abstract: Computer-assisted synthesis planning breaks target molecules into accessible precursors using large libraries of reaction rules that assign each transformation a deterministic, interpretable label.
By Daniel Armstrong, Maarten Dobbelaere, Valentas Olikauskas, Helena Avila, Octavian Susanu, J\'er\^ome Waser, Philippe Schwaller
arXiv:2606. 14814v1 Announce Type: cross Abstract: The Materials Science and Engineering ontology landscape is fragmented along multiple axes simultaneously.
By Thomas Pannek, Wolfgang Grond
arXiv:2507. 21438v2 Announce Type: replace Abstract: Ontologies and knowledge graphs require continuous evolution to remain comprehensive and accurate, but manual curation is labor intensive.
By Vishal Raman, Vijai Aravindh R, Abhijith Ragav
arXiv:2602. 17902v2 Announce Type: replace Abstract: Large language models (LLMs) can plan scientific workflows and generate code, but these capabilities do not specify how scientific state is validated, transferred and recorded across heterogeneous computational and experimental operations.
By Jiaru Bai, Abdulrahman Aldossary, Thomas Swanick, Marcel M\"uller, Yeonghun Kang, Changhyeok Choi, Naruki Yoshikawa, Zijian Zhang, Jin Won Lee, Tsz Wai Ko, Aiwei Yin, Mohammad Ghazi Vakili, Chris Crebolder, Varinia Bernales, Al\'an Aspuru-Guzik
arXiv:2606. 07094v1 Announce Type: cross Abstract: Scientific workflows increasingly generate structured JSON data that is easy to exchange but difficult to interpret consistently across systems due to lacking semantic interoperability.
By Felix Neubauer, Mahdi Jafarkhani, Kenichi Endo, J\"urgen Pleiss, Benjamin Uekermann