Molreac-Oxi: An end-to-end deep learning–quantum chemistry platform for •OH reactivity (kOH), pathways, and active-site insight

Environmental Research 2026

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Authors: Fulin Shao, Weiying Li, Zhiwei Liang, Changping Wang, Ting Li, Zhongqing Wei, Xingzhong Xu

DOI: 10.1016/j.envres.2026.123763

Cited by: 0

References: 56

Fields of Study & Subjects

Advanced Chemical Physics Studies Machine Learning in Materials Science Computational Drug Discovery Methods

References 56