{"id":"W4283771971","doi":"10.1021/acsomega.2c01092","title":"Phenylboronic Ester-Activated Aryl Iodide-Selective Buchwald–Hartwig-Type Amination toward Bioactivity Assay","year":2022,"lang":"en","type":"article","venue":"ACS Omega","topic":"Catalytic Cross-Coupling Reactions","field":"Chemistry","cited_by":3,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"Creations of Advanced Catalytic Transformation for the Sustainable Manufacturing at Low Energy, Low Environmental Load; Japan Society for the Promotion of Science; Fugaku Trust for Medicinal Research; Accelerated Innovation Research Initiative Turning Top Science and Ideas into High-Impact Values; Takeda Science Foundation; RIKEN; Japan Agency for Medical Research and Development; Naito Foundation","keywords":"Aryl; Phenylboronic acid; Chemistry; Amination; Iodide; Organic chemistry; Medicinal chemistry; Combinatorial chemistry; Catalysis","routes":{"ca_aff":true,"ca_fund":false,"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":[0.0005145003,0.0007984004,0.0003349874,0.0002851254,0.0001227474,0.0002549539,0.0004975164,0.0005250823,0.0008710365],"category_scores_gemma":[0.000312854,0.0002480387,0.0003784687,0.0002912012,0.0001992065,0.0004431631,0.0003089186,0.0006725941,0.0006046246],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002379023,"about_ca_system_score_gemma":0.0002300768,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003657404,"about_ca_topic_score_gemma":0.0009562388,"domain_scores_codex":[0.9997193,0.00006167308,0.00002046984,0.0000549121,0.00009106575,0.00005250034],"domain_scores_gemma":[0.9998418,0.00003212268,0.00004122734,0.00001522466,0.00005040967,0.00001918592],"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":[0.00006132553,0.00002946801,0.0001002382,0.0001501661,0.00001352779,0.00005009609,0.00002133415,0.0001217331,0.9951991,0.0001482907,0.00009160773,0.00401313],"study_design_scores_gemma":[0.00000789735,0.000344875,0.0004656052,0.000006112291,0.00002222887,0.0001184775,0.0000118111,0.0006377524,0.9966052,0.00004887313,0.001719159,0.00001217356],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8808863,0.01531535,0.09268474,0.000299775,0.0001554814,0.0004583517,0.0006992041,0.0006417258,0.008859098],"genre_scores_gemma":[0.9440474,0.006491371,0.04174888,0.0001337058,0.00003019313,0.0002087786,0.0008035168,0.00003579784,0.00650041],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0008710365,"threshold_uncertainty_score":0.002913892,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02165743437547672,"score_gpt":0.2714231787374553,"score_spread":0.2497657443619785,"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."}}