{"id":"W1970770647","doi":"10.1016/s0166-1280(02)00144-6","title":"Reactions of oxiranylidene and dimethyloxiranylidene, and their generation by retro Diels–Alder-type reactions: a computational study","year":2002,"lang":"en","type":"article","venue":"Journal of Molecular Structure THEOCHEM","topic":"Chemical Reactions and Mechanisms","field":"Chemistry","cited_by":7,"is_retracted":false,"has_abstract":false,"ca_institutions":"Queen's University; Trent University","funders":"","keywords":"Ketene; Chemistry; Carbene; Zwitterion; Adduct; Computational chemistry; Dissociation (chemistry); Photochemistry; Medicinal chemistry; Physical chemistry; Molecule; Organic chemistry","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001773567,0.0002042003,0.0003447469,0.0001028785,0.0001023933,0.00004376152,0.0001105264,0.0001449931,0.0002486623],"category_scores_gemma":[0.0002704499,0.0001636186,0.00009391671,0.000171666,0.00007286839,0.0001437993,0.00003988707,0.0003928255,3.277697e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00005058236,"about_ca_system_score_gemma":0.0000222796,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001334244,"about_ca_topic_score_gemma":0.000002381326,"domain_scores_codex":[0.9987235,0.00005113958,0.0005713385,0.0002108148,0.0003023316,0.0001408956],"domain_scores_gemma":[0.9987032,0.0001450503,0.0005125877,0.0002056917,0.000302521,0.000130893],"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":[0.00004398658,0.0001821747,0.0001040714,0.00003653374,0.0001992812,0.00001086262,0.0003141209,0.00009989385,0.9943529,0.000211471,0.0002447683,0.004199897],"study_design_scores_gemma":[0.001065656,0.0001984911,0.0000968545,0.00005722934,0.0001421986,0.0005749968,0.0007455436,0.001327431,0.9874033,0.007339666,0.0008742745,0.0001743926],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9944859,0.002614161,0.002236228,0.0001550567,0.00008534578,0.00007985817,0.00003123242,0.00001286024,0.0002993588],"genre_scores_gemma":[0.9972566,0.0002799464,0.002137451,0.00003700626,0.0001158352,0.000001868934,0.00001451632,0.00002376793,0.0001330353],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.007128195,"threshold_uncertainty_score":0.6672174,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01242176563412818,"score_gpt":0.230926479272311,"score_spread":0.2185047136381828,"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."}}