{"id":"W2104713409","doi":"10.1139/v11-099","title":"Increments for <sup>1</sup>H and <sup>13</sup>C NMR chemical shifts in pinacol arylboronates","year":2011,"lang":"en","type":"article","venue":"Canadian Journal of Chemistry","topic":"Organoboron and organosilicon chemistry","field":"Chemistry","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"","keywords":"Pinacol; Chemistry; Chemical shift; Benzene; Substituent; NMR spectra database; Ring (chemistry); Spectral line; Medicinal chemistry; Organic chemistry; Physical chemistry; Catalysis","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":true,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004673425,0.0004335342,0.0002236154,0.0005953256,0.0002580386,0.0002374412,0.0003693108,0.0003255739,0.003606249],"category_scores_gemma":[0.0008474285,0.00027181,0.0001490325,0.0006975736,0.0005347456,0.0004775857,0.0002625898,0.0006185716,0.0003508685],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003231594,"about_ca_system_score_gemma":0.0003025938,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001817739,"about_ca_topic_score_gemma":0.002859895,"domain_scores_codex":[0.9997131,0.00005154097,0.0000129901,0.00006175957,0.00008406152,0.00007655787],"domain_scores_gemma":[0.9993739,0.0001382049,0.0001912842,0.00005099085,0.0001629577,0.00008267655],"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":[0.0002989912,0.00001564408,0.0009071206,0.00006446496,0.00001313002,0.00007115425,0.00008998378,0.0003120369,0.9956594,0.0001380427,0.00005920672,0.002370753],"study_design_scores_gemma":[0.00001161043,0.0002739633,0.009094074,0.00001165348,0.00003048981,0.00009873632,0.00008897654,0.0004885403,0.9888109,0.00009131879,0.0009765311,0.00002319348],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9889764,0.001649328,0.00462652,0.0001153866,0.00004976452,0.00002247482,0.0006640809,0.0001719446,0.003724121],"genre_scores_gemma":[0.9942735,0.0009801565,0.002891825,0.00009905065,0.00001429416,0.00002836994,0.000453906,0.00002981113,0.001228968],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003606249,"threshold_uncertainty_score":0.01206416,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01462731417509217,"score_gpt":0.211560088493486,"score_spread":0.1969327743183939,"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."}}