{"id":"W2900004130","doi":"10.1038/s41467-018-07198-7","title":"N2H4 as traceless mediator for homo- and cross- aryl coupling","year":2018,"lang":"en","type":"article","venue":"Nature Communications","topic":"Catalytic Cross-Coupling Reactions","field":"Chemistry","cited_by":59,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University; Centre in Green Chemistry and Catalysis","funders":"National Postdoctoral Program for Innovative Talents; Fonds de recherche du Québec – Nature et technologies; China Postdoctoral Science Foundation; Centre in Green Chemistry and Catalysis","keywords":"Aryl; Electrophile; Combinatorial chemistry; Halide; Chemistry; Reagent; Coupling reaction; Molecule; Catalysis; Computational chemistry; Organic chemistry; Alkyl","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":[0.00023453,0.0003684238,0.0001598228,0.0002400764,0.0001601145,0.0001463348,0.0005094126,0.0002872783,0.002082096],"category_scores_gemma":[0.0001771226,0.0001482382,0.0001081584,0.0001584577,0.0001783703,0.0002731018,0.000345158,0.0002668356,0.0006082676],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002281625,"about_ca_system_score_gemma":0.0001935023,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005746142,"about_ca_topic_score_gemma":0.001005581,"domain_scores_codex":[0.9997922,0.00004907274,0.00001769239,0.00005039904,0.00005121703,0.00003947232],"domain_scores_gemma":[0.9999347,0.0000163985,0.00001800868,0.00001442871,0.00000855098,0.000007861014],"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":[0.00009645821,0.00003877083,0.0001124775,0.0001590309,0.00001635395,0.0001965495,0.00002985609,0.0003052695,0.9895883,0.001217143,0.0004385957,0.00780123],"study_design_scores_gemma":[0.000006908833,0.00006011874,0.000100937,0.000002817919,0.000006218339,0.00007730701,0.000006390535,0.0006431993,0.995314,0.0000795247,0.003698475,0.000004107884],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8799469,0.004296469,0.08134007,0.0003507729,0.0003184597,0.0002204469,0.0005857864,0.001059564,0.03188146],"genre_scores_gemma":[0.9792972,0.0009381247,0.01333796,0.00005694816,0.00001578529,0.00006765276,0.000182843,0.00003839264,0.006065162],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002082096,"threshold_uncertainty_score":0.006965339,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0213200713654413,"score_gpt":0.3664711967029344,"score_spread":0.3451511253374931,"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."}}