{"id":"W2062021043","doi":"10.1021/jp8048586","title":"Quantitative Scale for the Extent of Conjugation of Carbonyl Groups: “Carbonylicity” Percentage as a Chemical Driving Force","year":2008,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry A","topic":"Chemical Reaction Mechanisms","field":"Chemistry","cited_by":30,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"","keywords":"Chemistry; Carbonyl group; Conjugated system; Nucleophile; Affinities; Formaldehyde; Formate; Computational chemistry; Reactivity (psychology); Group (periodic table); Proton affinity; Organic chemistry; Medicinal chemistry; Stereochemistry; Ion; Polymer","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":[0.0003067808,0.0002092471,0.000488723,0.00001434149,0.00008951173,0.00000749631,0.000553783,0.0001079341,0.00008414419],"category_scores_gemma":[0.0006323444,0.0001318041,0.0004805503,0.0001271477,0.0004225291,0.00009637042,0.00009344579,0.0004888905,0.000001184297],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001207881,"about_ca_system_score_gemma":0.0001021394,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002292791,"about_ca_topic_score_gemma":4.690927e-7,"domain_scores_codex":[0.9983153,0.00002475829,0.0006394594,0.0001558308,0.0006328766,0.0002317862],"domain_scores_gemma":[0.9964272,0.001808407,0.0009358292,0.0003518791,0.0003614618,0.0001152032],"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":[0.0004935574,0.0003140109,0.00002590352,0.0001897427,0.0001162649,0.000001744064,0.001498755,0.0002449072,0.9968079,0.000168804,0.00004645819,0.00009189768],"study_design_scores_gemma":[0.0008581575,0.0001016415,0.00002905381,0.0001770983,0.0002291627,0.0001354349,0.001882714,0.009535156,0.9850848,0.001795935,0.0000436392,0.0001272444],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9964898,0.00009191663,0.001775699,0.0001782876,0.00002201056,0.0001047462,0.0000179126,0.00001142233,0.001308193],"genre_scores_gemma":[0.9991341,0.00004742807,0.0002021512,0.00002636598,0.000373567,0.00000979106,0.000005292929,0.00002703633,0.0001742661],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01172319,"threshold_uncertainty_score":0.5374815,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0166329899300367,"score_gpt":0.2740210935846126,"score_spread":0.2573881036545759,"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."}}