{"id":"W4313563817","doi":"10.1021/acscatal.2c04347","title":"Uncovering Structure–Activity Relationships in Pt/CeO<sub>2</sub> Catalysts for Hydrogen-Borrowing Amination","year":2023,"lang":"en","type":"article","venue":"ACS Catalysis","topic":"Asymmetric Hydrogenation and Catalysis","field":"Chemistry","cited_by":27,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Science and Technology Facilities Council; National Natural Science Foundation of China; Engineering and Physical Sciences Research Council; China Scholarship Council; Cardiff University; Ministry of Science and Technology of the People's Republic of China; European Regional Development Fund; Canadian Light Source","keywords":"Amination; Catalysis; Dehydrogenation; Chemistry; Hydrogen storage; Density functional theory; Hydrogen; Chemical engineering; Combinatorial chemistry; Computational chemistry; Organic chemistry","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0006815629,0.0003270514,0.0004512907,0.001103475,0.000370807,0.00008151421,0.0003630736,0.0002983384,0.00002625421],"category_scores_gemma":[0.001268937,0.0003701044,0.000305749,0.004375117,0.0000499616,0.0005956488,0.0001450429,0.0003712653,0.0001225378],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005039105,"about_ca_system_score_gemma":0.00009216741,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001440676,"about_ca_topic_score_gemma":0.0007563408,"domain_scores_codex":[0.9975456,0.00005691529,0.0005641421,0.0007252811,0.0005758937,0.0005321596],"domain_scores_gemma":[0.9981241,0.0005803863,0.0003013397,0.0007076291,0.0001404951,0.0001461001],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.00004542809,0.00009948823,0.01346368,0.0001805966,0.0003557552,0.00002314014,0.0009673873,0.007596186,0.923551,0.00009203159,0.000501141,0.05312415],"study_design_scores_gemma":[0.0006596465,0.000006835088,0.004864581,0.0000265693,0.0002503349,0.000005731975,0.0004425427,0.009112086,0.9831594,0.0005318733,0.0005186128,0.0004218396],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9975405,0.00009205243,0.0005629097,0.0002002057,0.00008301867,0.0001832115,0.0001990757,0.0003030404,0.0008360372],"genre_scores_gemma":[0.9953972,0.00004133422,0.00006983936,0.00002783113,0.0001228957,0.0001565442,0.003782121,0.00006908157,0.0003332128],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.05960833,"threshold_uncertainty_score":0.9998751,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01811486429009462,"score_gpt":0.2464335483906847,"score_spread":0.2283186841005901,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}