{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002167035,0.0004599184,0.0002294258,0.0001171773,0.0003007471,0.0002622796,0.0003502285,0.0002513645,0.002179503],"category_scores_gemma":[0.0002271475,0.000177637,0.0001082339,0.0002407211,0.0003950452,0.0003913269,0.0003095826,0.0004994158,0.0003778156],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002768549,"about_ca_system_score_gemma":0.0002820467,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001557432,"about_ca_topic_score_gemma":0.002524256,"domain_scores_codex":[0.9998384,0.00002000161,0.00001041038,0.00004192582,0.00003773891,0.00005149062],"domain_scores_gemma":[0.9998934,0.00002980102,0.00003196171,0.000016263,0.00001584422,0.00001275657],"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":[0.0004604407,0.00002830769,0.0001735908,0.0001885869,0.00001156077,0.0001165287,0.00008324577,0.0001727054,0.9945028,0.0003883342,0.0001945651,0.003679286],"study_design_scores_gemma":[0.00001088515,0.00008344676,0.0002524706,0.000003683234,0.000003641462,0.0000646462,0.00002211492,0.00008523246,0.9980312,0.00002167341,0.001417319,0.000003689823],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9831971,0.0012743,0.004643116,0.0001928744,0.000056638,0.0001120434,0.0005796241,0.0001815215,0.009762865],"genre_scores_gemma":[0.9937415,0.0007150077,0.002029541,0.00005719483,0.00001092983,0.00003179515,0.000275895,0.0000293325,0.003108814],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002179503,"threshold_uncertainty_score":0.007291138,"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."}}