المؤلفون: Jinwoong Nam, Charanyadevi Ramasamy, Daniel E. Raser, Gustavo L. Barbosa Couto, Lydia Thies, David Hibbitts, Fuat E. Celik

مصطلحات موضوعية: Biotechnology, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, using molecular fingerprints, lower absolute errors, individual carbons within, four molecular descriptors, first key step, extreme gradient boosting, complicated reaction networks, 30 different samplings, hydrocarbon radicals adsorbed, studying surface reactions, 6 , 2 , 111 ), highlighting, 3115 hydrocarbon adsorbates, outperformed linear models, four nonlinear algorithms, developed machine learning, predicting various species, machine learning, hydrocarbon adsorbates, three linear, nonlinear models, surface atoms, various c, total species

Relation: https://figshare.com/articles/journal_contribution/Predicting_the_Enthalpy_of_Hydrocarbon_Radicals_Adsorbed_on_Pt_111_Using_Molecular_Fingerprints_and_Machine_Learning/25429323

الاتاحة: https://doi.org/10.1021/acs.jpcc.3c08227.s001