{"id":"W4362632504","doi":"10.1139/cjc-2022-0314","title":"When is a pyridine not a pyridine? Benzannulated <i>N</i>-heterocyclic ligands in molecular materials chemistry","year":2023,"lang":"en","type":"article","venue":"Canadian Journal of Chemistry","topic":"Catalytic C–H Functionalization Methods","field":"Chemistry","cited_by":13,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Manitoba; Children's Hospital Research Institute of Manitoba","funders":"Natural Sciences and Engineering Research Council of Canada; Research Manitoba","keywords":"Chemistry; Phenanthridine; Acridine; Pyridine; Moiety; Quinoline; Ligand (biochemistry); Molecule; Reactivity (psychology); Stereochemistry; Nucleophilic aromatic substitution; Bipyridine; Combinatorial chemistry; Photochemistry; Medicinal chemistry; Organic chemistry; Nucleophilic substitution; Crystal structure","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":true,"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":[0.0006164634,0.0001523472,0.0002646329,0.0001343895,0.0006314029,0.000970662,0.0004691142,0.0005981549,0.002355277],"category_scores_gemma":[0.0004995786,0.000163927,0.00009785219,0.0002470736,0.001311467,0.001674501,0.0003188392,0.001055124,0.0007556533],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001049594,"about_ca_system_score_gemma":0.0006159319,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002053853,"about_ca_topic_score_gemma":0.003668385,"domain_scores_codex":[0.9997448,0.0000667928,0.00001199585,0.00004819718,0.00008461733,0.0000434768],"domain_scores_gemma":[0.9999024,0.00004450978,0.0000127972,0.00001114418,0.00001573056,0.00001350348],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0004184128,0.0001027082,0.001193629,0.002522284,0.00004387738,0.001623889,0.001561617,0.001725972,0.1886327,0.4090095,0.0167569,0.3764085],"study_design_scores_gemma":[0.00001810719,0.0003615193,0.0008178295,0.0003904011,0.00003108101,0.001499991,0.001481694,0.001648938,0.1697348,0.07975645,0.7442054,0.00005380653],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"review","genre_gemma":"empirical","genre_scores_codex":[0.2045405,0.5478997,0.04913315,0.03480962,0.004833577,0.00007994207,0.0002397758,0.000308864,0.1581548],"genre_scores_gemma":[0.7588227,0.1802855,0.01787623,0.003903347,0.0006697043,0.00005207503,0.0001062898,0.0001056299,0.03817847],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.002355277,"threshold_uncertainty_score":0.007879198,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01678579343950309,"score_gpt":0.2487364513806071,"score_spread":0.231950657941104,"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."}}