{"id":"W3144339028","doi":"10.1021/acs.joc.1c00165","title":"Unveiling KuQuinone Redox Species: An Electrochemical and Computational Cross Study","year":2021,"lang":"en","type":"article","venue":"The Journal of Organic Chemistry","topic":"Bioactive Compounds and Antitumor Agents","field":"Pharmacology, Toxicology and Pharmaceutics","cited_by":8,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Manitoba","funders":"Università degli Studi di Roma Tor Vergata","keywords":"Chemistry; Redox; Electrochemistry; Molecule; Hydrogen bond; Computational chemistry; Electrolyte; Solvent; Supporting electrolyte; Photochemistry; Combinatorial chemistry; Inorganic chemistry; Organic chemistry; Physical chemistry; Electrode","routes":{"ca_aff":true,"ca_fund":false,"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":[0.0003453982,0.0004887105,0.0008264876,0.0005270382,0.0005381985,0.0007986877,0.00102356,0.001289085,0.003904024],"category_scores_gemma":[0.0007666313,0.000301376,0.0006064438,0.0006119778,0.0002996658,0.000816419,0.0005183966,0.0008674085,0.0002345268],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004516078,"about_ca_system_score_gemma":0.0006174992,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004567521,"about_ca_topic_score_gemma":0.005196203,"domain_scores_codex":[0.9999359,0.00001379517,0.000003588028,0.00001182288,0.00001742515,0.00001751299],"domain_scores_gemma":[0.9997165,0.0001852133,0.00001804871,0.00001893669,0.0000468411,0.00001457132],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0004999599,0.0009011671,0.00592238,0.001968131,0.0003082188,0.001453059,0.0002860451,0.9080339,0.02113678,0.02870726,0.005676126,0.02510697],"study_design_scores_gemma":[0.00004962162,0.0001133611,0.0005358579,0.0000154395,0.00002791049,0.0000485651,0.0001097362,0.993762,0.001412389,0.002294023,0.001619847,0.00001137069],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9576476,0.003216073,0.01634821,0.0017734,0.0001429902,0.00009438045,0.001458571,0.0002733633,0.01904544],"genre_scores_gemma":[0.9831754,0.001545831,0.01243504,0.0002033487,0.00004814479,0.00009516419,0.0009908689,0.00003641278,0.001469792],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004567521,"threshold_uncertainty_score":0.01306021,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0746756550261405,"score_gpt":0.4134690968486555,"score_spread":0.338793441822515,"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."}}