{"id":"W4309287913","doi":"10.1002/asia.202201069","title":"Catalytic Mechanisms of Transfer Hydrogenation of Azobenzene with Ammonia Borane by Pincer Bismuth Complex: Crucial Role of C=N Functional Group on the Pincer Ligand","year":2022,"lang":"en","type":"article","venue":"Chemistry - An Asian Journal","topic":"Asymmetric Hydrogenation and Catalysis","field":"Chemistry","cited_by":4,"is_retracted":false,"has_abstract":true,"ca_institutions":"Ministry of Education and Child Care","funders":"National Natural Science Foundation of China","keywords":"Pincer movement; Ammonia borane; Chemistry; Pincer ligand; Azobenzene; Catalysis; Ligand (biochemistry); Borane; Gibbs free energy; Transfer hydrogenation; Photochemistry; Medicinal chemistry; Inorganic chemistry; Combinatorial chemistry; Molecule; Organic chemistry","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":"codex-gemma-dda1882f352a","candidate_categories":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0003736907,0.0002263821,0.0003659623,0.00009659918,0.0002840837,0.00002330318,0.0004599998,0.00009276145,0.003393897],"category_scores_gemma":[0.00002543093,0.0001804946,0.0002106336,0.0005308352,0.0001418255,0.0001023006,0.00004324889,0.0004599009,0.000001101234],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001451948,"about_ca_system_score_gemma":0.0001908629,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0000174691,"about_ca_topic_score_gemma":0.000004100111,"domain_scores_codex":[0.9977606,0.00004359602,0.0006246724,0.0002747999,0.001071332,0.0002249933],"domain_scores_gemma":[0.998812,0.00003830784,0.0004640681,0.0003428138,0.000184972,0.0001578902],"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":[0.0003843494,0.0004708409,0.0001128363,0.00007758733,0.0002875898,0.000006826915,0.0005693458,0.0004985172,0.9948489,0.0002957893,0.0002091955,0.002238228],"study_design_scores_gemma":[0.001356415,0.0001495411,0.00009712264,0.00003591173,0.0001565629,0.0001925067,0.003878747,0.001162758,0.9916289,0.000512364,0.0006286658,0.0002004564],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9889838,0.000159331,0.002406493,0.0003171576,0.00003394108,0.00008431071,0.0005118815,0.00001815999,0.007485003],"genre_scores_gemma":[0.9991158,0.000008872995,0.00006111053,0.00004564209,0.00009872024,0.00001767331,0.0004277503,0.00003394489,0.0001905473],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01013202,"threshold_uncertainty_score":0.9975171,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01018571511054189,"score_gpt":0.1980165279687556,"score_spread":0.1878308128582137,"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."}}