{"id":"W1979021826","doi":"10.1002/ejoc.200800187","title":"Nucleohomolytic Substitution at Boron: A Computational Approach","year":2008,"lang":"en","type":"article","venue":"European Journal of Organic Chemistry","topic":"Radical Photochemical Reactions","field":"Chemistry","cited_by":31,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Ottawa","funders":"","keywords":"Chemistry; Lone pair; Nucleophile; Boron; Nucleophilic substitution; Substitution reaction; Oxygen; Mechanism (biology); Reaction mechanism; Computational chemistry; Alkyl; Stereochemistry; Oxygen atom; Medicinal chemistry; Photochemistry; Organic chemistry; Molecule; Catalysis","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004680126,0.0007014534,0.001364123,0.001073457,0.0007969763,0.001086916,0.001900506,0.00160934,0.009148534],"category_scores_gemma":[0.001181869,0.0004129463,0.0007373717,0.001158174,0.0006027343,0.0005950792,0.0007451554,0.0007879275,0.000582569],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008673749,"about_ca_system_score_gemma":0.00183348,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01003782,"about_ca_topic_score_gemma":0.01432895,"domain_scores_codex":[0.9998876,0.00004921043,0.000002743662,0.00001207519,0.00002346811,0.00002495081],"domain_scores_gemma":[0.9993685,0.0004732392,0.00002398715,0.00003432267,0.00006802866,0.0000319916],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.000128603,0.0001479219,0.0005609604,0.0002079074,0.00006967188,0.0001969209,0.00004448161,0.9690214,0.0004807131,0.02158431,0.001638896,0.005918161],"study_design_scores_gemma":[0.0001013358,0.00003634241,0.0001244601,0.00001529026,0.00002691631,0.0000129086,0.0000474817,0.992651,0.0001150415,0.005806341,0.001056609,0.000006202057],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.6973079,0.002512128,0.1243065,0.003398731,0.0003136283,0.0004733312,0.005414551,0.001141411,0.1651318],"genre_scores_gemma":[0.9289157,0.0008137809,0.06117556,0.0004489516,0.00007805427,0.0007448761,0.001421023,0.0001317501,0.006270139],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01003782,"threshold_uncertainty_score":0.0306049,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01607773827022431,"score_gpt":0.2047458997372368,"score_spread":0.1886681614670124,"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."}}