{"id":"W2309516451","doi":"10.1038/ncomms11073","title":"Challenging nickel-catalysed amine arylations enabled by tailored ancillary ligand design","year":2016,"lang":"en","type":"article","venue":"Nature Communications","topic":"Catalytic Cross-Coupling Reactions","field":"Chemistry","cited_by":183,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta; Dalhousie University","funders":"Natural Sciences and Engineering Research Council of Canada; Dalhousie University","keywords":"Catalysis; Nickel; Amination; Aniline; Aryl; Palladium; Combinatorial chemistry; Chemistry; Ligand (biochemistry); Steric effects; Amine gas treating; Electrophile; Organic 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":[],"consensus_categories":[],"category_scores_codex":[0.0002874155,0.0002814409,0.0002799056,0.0001383132,0.0008211672,0.00009049384,0.00138592,0.0005202831,0.0002044087],"category_scores_gemma":[0.0008574778,0.0002403342,0.0001507596,0.000443544,0.0003137427,0.0003178635,0.0003920143,0.000928996,0.0001789624],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003228308,"about_ca_system_score_gemma":0.0001523645,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00003438865,"about_ca_topic_score_gemma":0.0001153187,"domain_scores_codex":[0.9984154,0.000008025017,0.0004587896,0.0004171485,0.0002956194,0.0004049852],"domain_scores_gemma":[0.9940989,0.001544531,0.0002306059,0.003659529,0.000298748,0.0001677009],"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":[0.0000191767,0.0002455627,0.0006853007,0.00001647443,0.0001285815,0.000001621563,0.0001728183,0.00003059549,0.9800882,0.0008959976,0.01634914,0.001366544],"study_design_scores_gemma":[0.002806321,0.00002849448,0.001284002,0.0003564455,0.0003211762,0.0000741556,0.0005001518,0.004511164,0.786181,0.001076497,0.2017438,0.001116777],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8070619,0.07223111,0.0283683,0.05690273,0.0009906096,0.001715931,0.001987109,0.003743804,0.02699856],"genre_scores_gemma":[0.9918431,0.001789854,0.001071269,0.0001043568,0.0001099236,0.0001501576,0.0007927476,0.00006850571,0.004070109],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1939072,"threshold_uncertainty_score":0.9800544,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02670448841326793,"score_gpt":0.287531492505839,"score_spread":0.260827004092571,"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."}}