{"id":"W3036526691","doi":"10.1039/d0sc02694h","title":"H/D exchange under mild conditions in arenes and unactivated alkanes with C <sub>6</sub> D <sub>6</sub> and D <sub>2</sub> O using rigid, electron-rich iridium PCP pincer complexes","year":2020,"lang":"en","type":"article","venue":"Chemical Science","topic":"Chemical Reactions and Isotopes","field":"Pharmacology, Toxicology and Pharmaceutics","cited_by":34,"is_retracted":false,"has_abstract":true,"ca_institutions":"Calgary Laboratory Services; University of Calgary","funders":"Institute of Infection and Immunity; Division of Chemistry; Natural Sciences and Engineering Research Council of Canada; Canada Research Chairs; Brigham Young University; National Science Foundation","keywords":"Iridium; Electron; Chemistry; Medicinal chemistry; Organic chemistry; Physics; Catalysis","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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0003316926,0.0004431038,0.0004966389,0.000179756,0.0005906194,0.0001213632,0.0003625168,0.0003314697,0.00003878689],"category_scores_gemma":[0.0001943689,0.0003922538,0.00006445876,0.001533056,0.002314426,0.0005417524,0.000296029,0.00099627,0.00001787057],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002571143,"about_ca_system_score_gemma":0.0002475424,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00003643958,"about_ca_topic_score_gemma":0.00005143481,"domain_scores_codex":[0.9970985,0.0001073437,0.0004258086,0.0010042,0.0003712202,0.0009928931],"domain_scores_gemma":[0.9982024,0.0005237574,0.0001815675,0.0002091514,0.0001756012,0.0007075483],"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":[0.0002267285,0.000214039,0.001613794,0.00008012951,0.00004560802,0.00002045773,0.0003343979,0.000103567,0.9953629,0.000156959,0.0004907848,0.001350587],"study_design_scores_gemma":[0.00133058,0.0001100141,0.003998256,0.00006984258,0.00009808602,0.00009690822,0.0001636846,0.003273658,0.9890969,0.0005490098,0.0006893101,0.0005236803],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9964142,0.0006768675,0.00009991812,0.001802402,0.0001276972,0.0004635747,0.00007442785,0.0001154607,0.0002254225],"genre_scores_gemma":[0.9968753,0.0008242675,0.0001033544,0.001846351,0.0001984449,0.00006569234,0.0000493525,0.0000344406,0.000002748012],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.006265979,"threshold_uncertainty_score":0.999853,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0911011232320543,"score_gpt":0.3738802307443697,"score_spread":0.2827791075123154,"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."}}