{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0005496067,0.0005535265,0.0004982062,0.001354634,0.0005454823,0.0008505823,0.000870311,0.0007500362,0.007541661],"category_scores_gemma":[0.001114747,0.0002431039,0.000379483,0.000370604,0.001102481,0.001599669,0.0009570044,0.001349351,0.001564117],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000542256,"about_ca_system_score_gemma":0.0003026896,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004312515,"about_ca_topic_score_gemma":0.0001833535,"domain_scores_codex":[0.9995806,0.00005705353,0.00001257079,0.00006862674,0.0002077404,0.00007350494],"domain_scores_gemma":[0.9997665,0.00007287612,0.00003530336,0.00005183801,0.00004898274,0.00002453755],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.00002131209,0.00001539744,0.00007126414,0.00008467468,0.000005736923,0.00006726023,0.0000879597,0.008209355,0.00755041,0.9787587,0.000972788,0.004155227],"study_design_scores_gemma":[0.0000162934,0.00006256786,0.0004234723,0.00002498228,0.00000788368,0.0002306429,0.00003715518,0.1508559,0.0168589,0.8166353,0.01479393,0.00005287841],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.3651308,0.01105178,0.2669314,0.003276813,0.0008910661,0.0001331395,0.0003728311,0.0006224756,0.3515897],"genre_scores_gemma":[0.9607622,0.002688124,0.01032192,0.000299735,0.0003167448,0.00009207681,0.0001183912,0.0001653352,0.02523553],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.007541661,"threshold_uncertainty_score":0.02522933,"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."}}