{"id":"W2018299832","doi":"10.1021/ja0112801","title":"Keto−Enol/Enolate Equilibria in the Isochroman-4-one System. Effect of a β-Oxygen Substituent","year":2001,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Analytical Chemistry and Chromatography","field":"Chemistry","cited_by":17,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"","keywords":"Chemistry; Enol; Keto–enol tautomerism; Substituent; Medicinal chemistry; Ketone; Aqueous solution; Reaction rate constant; Oxygen; Inorganic chemistry; Organic chemistry; Photochemistry; Catalysis; Tautomer; Kinetics","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":[0.0006340664,0.000249114,0.0007428948,0.00001748637,0.00007350226,0.00002973955,0.001190913,0.0001255154,0.00009091484],"category_scores_gemma":[0.0001418048,0.0001379328,0.001304279,0.0007272591,0.000718326,0.00007047276,0.0001467963,0.0007877984,0.000003036254],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001941038,"about_ca_system_score_gemma":0.00005861192,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00003982335,"about_ca_topic_score_gemma":5.060179e-7,"domain_scores_codex":[0.997883,0.00009425359,0.0007551987,0.0001988387,0.0006900211,0.0003787032],"domain_scores_gemma":[0.9978186,0.0004677309,0.001006017,0.0005006851,0.00008714169,0.0001197767],"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":[0.0002469603,0.000172929,0.0107758,0.0003547853,0.0003292416,0.00002019892,0.0003242911,0.00001124687,0.9862926,0.00002341916,0.00128075,0.0001677709],"study_design_scores_gemma":[0.001531337,0.000132515,0.002135372,0.0006534187,0.0004880104,0.0005226862,0.002109586,0.000491137,0.990474,0.0001260268,0.001046283,0.0002895931],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9958505,0.0003819624,0.00002798769,0.0006551087,0.00003506204,0.00006293212,0.000007430397,0.00001673206,0.002962257],"genre_scores_gemma":[0.999201,0.0001217123,0.0001322783,0.0001685273,0.0003062211,0.000004941892,0.000001826596,0.00002002358,0.000043493],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00864043,"threshold_uncertainty_score":0.5624734,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007634003503416293,"score_gpt":0.2372996386353401,"score_spread":0.2296656351319238,"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."}}