{"id":"W3126854068","doi":"10.1039/d0sc06628a","title":"Electrophilic reactivities of cyclic enones and α,β-unsaturated lactones","year":2021,"lang":"en","type":"article","venue":"Chemical Science","topic":"Chemical Reaction Mechanisms","field":"Chemistry","cited_by":77,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Deutsche Forschungsgemeinschaft; Université de Sherbrooke","keywords":"Reactivity (psychology); Electrophile; Chemistry; Quantum chemical; Organic chemistry; Computational chemistry; Molecule; Catalysis","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00009463255,0.0001190203,0.0001881959,0.00002996221,0.00006189325,0.00003969194,0.0002143195,0.00009303782,0.0003248912],"category_scores_gemma":[0.0007658043,0.0001089083,0.0000415931,0.0005138039,0.0006215974,0.000185079,0.0001518006,0.0001979649,0.000005287994],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00007825934,"about_ca_system_score_gemma":0.0001438498,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001218487,"about_ca_topic_score_gemma":0.000001066412,"domain_scores_codex":[0.9987431,0.000004928374,0.0001832752,0.0004026616,0.0003687149,0.0002973051],"domain_scores_gemma":[0.9991783,0.0001702075,0.00008049876,0.0002652293,0.0001466845,0.0001590488],"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":[0.00001115241,0.00004715169,0.0001164052,0.00003886147,0.000004234765,0.000004988674,0.00005523927,8.61182e-8,0.9964093,0.000850845,0.00001393982,0.002447799],"study_design_scores_gemma":[0.0001445996,0.000004813183,0.00008973659,0.0000303087,0.000008593826,0.00007133274,0.000115537,0.00006481959,0.9967396,0.002116394,0.0004895118,0.0001247519],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9917269,0.0001923534,0.00001327776,0.0001871253,0.00003396719,0.00001655812,0.000004617711,0.00005616415,0.007769052],"genre_scores_gemma":[0.9989333,0.0000772223,0.0004884118,0.00004206108,0.00004784335,0.000004322621,0.000006624347,0.000008779918,0.0003914207],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.007377631,"threshold_uncertainty_score":0.4441151,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007708338398633779,"score_gpt":0.2320199492657154,"score_spread":0.2243116108670816,"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."}}