{"id":"W4417000979","doi":"10.1021/acs.orglett.5c04166","title":"Decarboxylative Redox Bicyclo[1.1.1]pentylation: Benchmarking the Influence of Backbone Substituents on C–C Bond-Forming Reactions","year":2025,"lang":"en","type":"article","venue":"Organic Letters","topic":"Radical Photochemical Reactions","field":"Chemistry","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Lethbridge","funders":"Alberta Innovates; Natural Sciences and Engineering Research Council of Canada; Canada Research Chairs; Canada Foundation for Innovation; University of Lethbridge","keywords":"Allylic rearrangement; Substituent; Redox; Substitution (logic); Molecule; Small molecule; Decarboxylation","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002595556,0.0003213673,0.0002702711,0.0001292483,0.0001389869,0.0003102125,0.0002566042,0.0002762704,0.00185754],"category_scores_gemma":[0.0003502851,0.0001060179,0.0001226684,0.0001678474,0.0001592058,0.0003213066,0.0002149578,0.0005460357,0.0002844751],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003055149,"about_ca_system_score_gemma":0.0001630534,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00048988,"about_ca_topic_score_gemma":0.001000499,"domain_scores_codex":[0.9998909,0.00001270868,0.000007334592,0.0000320484,0.00002568429,0.00003131263],"domain_scores_gemma":[0.9999083,0.00003761005,0.00001617222,0.00001056137,0.0000144668,0.00001288702],"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":[0.0006395876,0.0002611826,0.0007855618,0.0004395735,0.00002930053,0.0002284949,0.0001190121,0.009586726,0.9702749,0.001877596,0.0002844978,0.01547354],"study_design_scores_gemma":[0.00005588407,0.00146006,0.0009389758,0.00001473523,0.00002257637,0.00008826428,0.0000580264,0.009568817,0.9846388,0.0002602771,0.002877204,0.00001656215],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9955721,0.0005811921,0.0009883509,0.00004307993,0.00001854337,0.0000249395,0.000139443,0.00003232337,0.002599935],"genre_scores_gemma":[0.9972474,0.0006865581,0.001343854,0.00001528615,0.000002686138,0.00001297322,0.0001462398,0.00001573024,0.0005292819],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00185754,"threshold_uncertainty_score":0.006214142,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007479873295071581,"score_gpt":0.2423327595865215,"score_spread":0.2348528862914499,"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."}}