{"id":"W1970733631","doi":"10.1016/j.tetlet.2005.09.159","title":"A criterion to demarcate the dual Diels–Alder and σ-complex behaviour of aromatic and heteroaromatic superelectrophiles","year":2005,"lang":"en","type":"article","venue":"Tetrahedron Letters","topic":"Organic and Inorganic Chemical Reactions","field":"Chemistry","cited_by":23,"is_retracted":false,"has_abstract":false,"ca_institutions":"Queen's University; Memorial University of Newfoundland","funders":"","keywords":"Chemistry; Electrophile; Reactivity (psychology); Diels–Alder reaction; Aromaticity; Organic chemistry; Dual role; Dual (grammatical number); Computational chemistry; Combinatorial chemistry; Molecule; 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":[0.0003070447,0.0003563491,0.0002124159,0.001337398,0.000582148,0.0009786264,0.0004878432,0.0007317056,0.00153242],"category_scores_gemma":[0.0008122331,0.0001765817,0.0001726562,0.0004222693,0.001352517,0.0006564082,0.0004055392,0.0006740383,0.0008310332],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002067922,"about_ca_system_score_gemma":0.0003134969,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002714497,"about_ca_topic_score_gemma":0.0002650938,"domain_scores_codex":[0.9997693,0.00003838035,0.00002340847,0.00004453557,0.0000847449,0.00003968358],"domain_scores_gemma":[0.9995493,0.0001061203,0.00007034853,0.00006590418,0.0001357142,0.00007265809],"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":[0.0001709377,0.00006167145,0.002226125,0.0001250982,0.00001046487,0.0004928468,0.00034078,0.0004169392,0.854046,0.1230955,0.001172038,0.01784155],"study_design_scores_gemma":[0.00003834047,0.0003093086,0.007889932,0.00003133619,0.00002694036,0.002738727,0.0003905734,0.007092076,0.8924603,0.0437986,0.04518282,0.00004116959],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8350374,0.001808485,0.09861767,0.001471493,0.0002100753,0.0001333912,0.000502702,0.0006312657,0.06158759],"genre_scores_gemma":[0.9605601,0.0005845249,0.03069389,0.0002203605,0.00005436608,0.0000663564,0.0002493914,0.00008159804,0.007489336],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00153242,"threshold_uncertainty_score":0.005126417,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01172946304805878,"score_gpt":0.2297101458806932,"score_spread":0.2179806828326344,"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."}}