{"id":"W1978346501","doi":"10.1021/ja206890y","title":"Hydrogen Atom Abstraction Selectivity in the Reactions of Alkylamines with the Benzyloxyl and Cumyloxyl Radicals. The Importance of Structure and of Substrate Radical Hydrogen Bonding","year":2011,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Free Radicals and Antioxidants","field":"Chemistry","cited_by":53,"is_retracted":false,"has_abstract":true,"ca_institutions":"National Institute for Nanotechnology; University of Alberta","funders":"Western Canada Research Grid","keywords":"Chemistry; Radical; Hydrogen atom abstraction; Substrate (aquarium); Hydrogen atom; Selectivity; Hydrogen; Photochemistry; Hydrogen bond; Abstraction; Molecule; Organic chemistry; Catalysis; Group (periodic table)","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003462964,0.0004621267,0.0002467767,0.00009951978,0.0001089745,0.0002206568,0.0003313127,0.0003700042,0.001013656],"category_scores_gemma":[0.0006202252,0.0001490535,0.0002695138,0.0001063866,0.0001747485,0.0005306509,0.0001789083,0.0004940583,0.0003287146],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002816154,"about_ca_system_score_gemma":0.0001596095,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006909487,"about_ca_topic_score_gemma":0.001261385,"domain_scores_codex":[0.9997635,0.00003564871,0.00001112992,0.00006109286,0.00006074498,0.00006788928],"domain_scores_gemma":[0.9996198,0.0001296056,0.0001239837,0.00002306766,0.00007165971,0.00003186675],"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":[0.0002840373,0.00002172306,0.0005963038,0.0001804156,0.00003093818,0.00004833187,0.00005500871,0.0002091988,0.994864,0.00009300801,0.00006181659,0.003555218],"study_design_scores_gemma":[0.000006039035,0.0001904821,0.002385218,0.000006752899,0.00002101612,0.00009174414,0.00002668016,0.00091992,0.9955876,0.00003400722,0.0007230502,0.000007523661],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.989588,0.003606778,0.004068529,0.0000668124,0.00004240832,0.00003823458,0.00035864,0.0000411529,0.002189371],"genre_scores_gemma":[0.9957677,0.001308424,0.001566948,0.00002696243,0.00001022608,0.00002119194,0.0002548841,0.00001473207,0.001028948],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001013656,"threshold_uncertainty_score":0.003391027,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01054367964017528,"score_gpt":0.2263836233895075,"score_spread":0.2158399437493322,"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."}}