{"id":"W4396885529","doi":"10.1002/cphc.202400092","title":"Experimental and Theoretical Predictors for Redox Potentials of Bispyridinylidene Electron Donors","year":2024,"lang":"en","type":"article","venue":"ChemPhysChem","topic":"Electrochemical Analysis and Applications","field":"Chemistry","cited_by":3,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of New Brunswick","funders":"Natural Sciences and Engineering Research Council of Canada; Alliance de recherche numérique du Canada; New Brunswick Innovation Foundation","keywords":"Redox; Chemistry; Pyridinium; Solvation; Molecule; Computational chemistry; Ion; Pyridinium chlorochromate; Chemical physics; Inorganic chemistry; Organic chemistry","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00007477408,0.0001437783,0.0002156332,0.00003080399,0.00004692833,0.00003659502,0.0001251633,0.0001023961,0.0002303079],"category_scores_gemma":[0.00002561048,0.0001230279,0.0001668934,0.0001339732,0.0001836141,0.00004769663,0.00004546595,0.0001048982,0.000004322161],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0000351295,"about_ca_system_score_gemma":0.00002949404,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000002884012,"about_ca_topic_score_gemma":1.206934e-7,"domain_scores_codex":[0.9990665,0.000003376391,0.0002462931,0.0003376667,0.000124638,0.0002215207],"domain_scores_gemma":[0.9995397,0.000110128,0.0000436249,0.0001918062,0.00002937399,0.00008535285],"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":[0.00002122564,0.00006994182,0.00003813027,0.000157867,0.0001044422,3.853739e-7,0.00006007886,5.004224e-7,0.9515349,0.04686148,0.0008090874,0.0003419734],"study_design_scores_gemma":[0.0001635666,0.00002772639,0.000003729401,0.00004534127,0.00009852089,0.000004321284,0.00005514858,0.00125057,0.990128,0.005295914,0.002800739,0.0001263713],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9941967,0.002566436,0.0005943842,0.000250867,0.00001326292,0.00007529823,0.00003050261,0.00008578354,0.002186819],"genre_scores_gemma":[0.9986805,0.00006860815,0.0004038881,0.00001715258,0.000177989,0.0001276982,0.00008302066,0.00002602049,0.0004151578],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.04156557,"threshold_uncertainty_score":0.5016931,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005339876990807614,"score_gpt":0.25452938144472,"score_spread":0.2491895044539124,"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."}}