{"id":"W2767436846","doi":"10.1002/anie.201710263","title":"Solid‐State Structure of Protonated Ketones and Aldehydes","year":2017,"lang":"en","type":"article","venue":"Angewandte Chemie International Edition","topic":"Catalysis and Oxidation Reactions","field":"Chemical Engineering","cited_by":26,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Lethbridge","funders":"Natural Sciences and Engineering Research Council of Canada; Western Canada Research Grid","keywords":"Oxonium ion; Chemistry; Aldehyde; Protonation; Electrophile; Acetaldehyde; Anhydrous; Benzaldehyde; Photochemistry; Acetone; Ketone; Medicinal chemistry; Organic chemistry; Catalysis","routes":{"ca_aff":true,"ca_fund":true,"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":[0.00003701281,0.00008736325,0.0001127448,0.00005758904,0.00009389086,0.00006079643,0.0001543164,0.00005454196,0.000336135],"category_scores_gemma":[0.0001890398,0.00008212846,0.00004723867,0.00002565787,0.00007262522,0.0003422984,0.00005878143,0.00009124342,0.00000421596],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003224205,"about_ca_system_score_gemma":0.00001166603,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00007928348,"about_ca_topic_score_gemma":0.00002764073,"domain_scores_codex":[0.9994146,0.000002468567,0.0001796987,0.0001452204,0.0001795132,0.00007848045],"domain_scores_gemma":[0.9993957,0.0000291857,0.0001847063,0.0001735787,0.0001764532,0.00004039732],"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":[0.00001602697,0.00002158269,0.0008372053,0.0000212944,0.00006824831,0.000001175355,0.00007581227,0.00004840776,0.9970443,0.0004028482,0.000647479,0.0008156705],"study_design_scores_gemma":[0.0003037444,0.000006453721,0.00711517,0.00004246357,0.00001575667,0.00000813384,0.00001929166,0.0008980077,0.9871926,0.0009677492,0.003345297,0.0000853625],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9903199,0.00003400076,0.003068089,0.0009905352,0.0006312193,0.0001721718,0.0003600427,0.00006332136,0.004360726],"genre_scores_gemma":[0.998395,0.00004267033,0.0001786171,0.00002536531,0.0003323912,0.00001529889,0.0003367307,0.000009909251,0.0006640012],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00985168,"threshold_uncertainty_score":0.3680443,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01233128815741976,"score_gpt":0.2887723222391405,"score_spread":0.2764410340817208,"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."}}