{"id":"W3141756641","doi":"10.1021/acscatal.1c00014","title":"Ureate Titanium Catalysts for Hydroaminoalkylation: Using Ligand Design to Increase Reactivity and Utility","year":2021,"lang":"en","type":"article","venue":"ACS Catalysis","topic":"Organoboron and organosilicon chemistry","field":"Chemistry","cited_by":25,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of British Columbia","funders":"China Scholarship Council; Natural Sciences and Engineering Research Council of Canada; Canada Research Chairs; Alexander von Humboldt-Stiftung","keywords":"Catalysis; Reactivity (psychology); Chemistry; Alkene; Amine gas treating; Organic chemistry; Regioselectivity; Titanium; Alkyl; Aryl; Combinatorial chemistry","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":[0.000212781,0.0002459066,0.0003624065,0.00004252421,0.0002011202,0.00009614605,0.0001498915,0.0001919874,0.000118412],"category_scores_gemma":[0.0004689388,0.0002716512,0.0001047467,0.0003176447,0.00005453997,0.0001863087,0.0001670943,0.0001274363,0.00001400534],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001219169,"about_ca_system_score_gemma":0.0001728036,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002090046,"about_ca_topic_score_gemma":0.00006538628,"domain_scores_codex":[0.9985434,0.00002330113,0.0002781622,0.0006522462,0.0001975202,0.0003054019],"domain_scores_gemma":[0.9985358,0.0002138423,0.0001006115,0.0007114634,0.0001639351,0.0002743788],"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":[0.00005924662,0.00009485444,0.00394518,0.000122539,0.0001150417,0.00002621686,0.0001672046,0.00000604361,0.9914696,0.000003354277,0.0005512529,0.003439449],"study_design_scores_gemma":[0.0004494461,0.000006799293,0.0009642212,0.00002402917,0.0003377952,0.00005776632,0.0001470858,0.0004984291,0.9963675,0.00003585018,0.0008149404,0.0002961241],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9962342,0.0003678533,0.001873535,0.0002509585,0.0000361784,0.0001028008,0.0001237341,0.00007904647,0.0009316271],"genre_scores_gemma":[0.9964775,0.00002042532,0.002069526,0.0001177907,0.0001562309,0.00002273175,0.0003210545,0.00003818563,0.0007765201],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004897896,"threshold_uncertainty_score":0.9999736,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03071377927452535,"score_gpt":0.2649109384565411,"score_spread":0.2341971591820157,"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."}}