{"id":"W2079050656","doi":"10.1002/anie.201001574","title":"Marcus Analysis of Ambident Reactivity","year":2010,"lang":"de","type":"article","venue":"Angewandte Chemie International Edition","topic":"Chemical Reaction Mechanisms","field":"Chemistry","cited_by":62,"is_retracted":false,"has_abstract":true,"ca_institutions":"Western University","funders":"","keywords":"HSAB theory; Reactivity (psychology); Nucleophile; Chemistry; Computer science; Computational chemistry; Organic chemistry; Medicine","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":["metaepi_narrow","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0003336094,0.0003295511,0.0005123582,0.0003842217,0.00006290891,0.00008496552,0.0005289604,0.0005452419,0.01431586],"category_scores_gemma":[0.0009467379,0.000375154,0.0006555438,0.0006199452,0.0001724286,0.0003604864,0.0001748231,0.0009416345,0.000144351],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003363669,"about_ca_system_score_gemma":0.0001004114,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000343269,"about_ca_topic_score_gemma":0.0001008212,"domain_scores_codex":[0.9971895,0.00001594507,0.0007179434,0.0006261985,0.001142768,0.0003077016],"domain_scores_gemma":[0.9973788,0.0003737184,0.0007481732,0.0006124257,0.0006722253,0.0002146502],"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":[0.0001272051,0.000569366,0.0008860821,0.00006124782,0.002897578,0.00001896001,0.0001114178,0.000009251998,0.9870754,0.0006624958,0.005938693,0.001642273],"study_design_scores_gemma":[0.0005398757,0.00001525382,0.001687571,0.00006256522,0.002104615,0.000008218644,0.00007346168,0.0005364282,0.9509845,0.00119958,0.04247895,0.0003089793],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9488637,0.0001587827,0.003805247,0.001761805,0.01155,0.0001627255,0.00177749,0.0001462445,0.03177396],"genre_scores_gemma":[0.9902449,0.0002728361,0.0002812291,0.0001188055,0.004291484,0.00003358223,0.003238223,0.00003876955,0.001480207],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.04138112,"threshold_uncertainty_score":0.9998701,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01223378330362631,"score_gpt":0.2722850339729646,"score_spread":0.2600512506693383,"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."}}