{"id":"W2000051038","doi":"10.1002/chem.201203328","title":"Revealing Unexpected Mechanisms for Nucleophilic Attack on SS and SeSe Bridges","year":2013,"lang":"en","type":"article","venue":"Chemistry - A European Journal","topic":"Sulfur-Based Synthesis Techniques","field":"Chemistry","cited_by":15,"is_retracted":false,"has_abstract":true,"ca_institutions":"Dalhousie University","funders":"Atlantic Canada Opportunities Agency","keywords":"Antibonding molecular orbital; Nucleophile; HOMO/LUMO; Chemistry; Electronegativity; Reactivity (psychology); Diselenide; Heterolysis; Stereochemistry; Aryl; Crystallography; Photochemistry; Medicinal chemistry; Computational chemistry; Atomic orbital; Molecule; Organic chemistry; Catalysis; Electron; Physics; Selenium","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":["metaepi_narrow","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0005120742,0.0003456135,0.0003126944,0.00004598304,0.0003152587,0.0003194853,0.0004928016,0.0001029776,0.00134748],"category_scores_gemma":[0.0005815694,0.0003388,0.0001808554,0.00007829211,0.00009575365,0.0001489596,0.0001017247,0.000584195,0.00006737997],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001189025,"about_ca_system_score_gemma":0.00004227978,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000002480554,"about_ca_topic_score_gemma":9.483099e-8,"domain_scores_codex":[0.9981781,0.00007603016,0.0005212224,0.0004625363,0.0002793629,0.0004827885],"domain_scores_gemma":[0.9983801,0.0002227392,0.0003377235,0.0004926156,0.0002030402,0.0003638111],"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":[0.00004574512,0.00007055504,0.00003333926,0.0001718662,0.00004808559,0.00007367178,0.00009390819,0.000004451128,0.9846992,0.00001069539,0.00786723,0.006881236],"study_design_scores_gemma":[0.0008427231,0.00005535618,0.0001559067,0.0004604193,0.00004305369,0.0005430441,0.0003708141,0.000634281,0.9908149,0.0003381943,0.00531029,0.0004309671],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9874208,0.0001382897,0.0007612586,0.000473882,0.00006675923,0.0001223525,0.00002920935,0.0003167562,0.01067071],"genre_scores_gemma":[0.9913199,0.00006878387,0.004840677,0.0002265175,0.0007522676,0.00002779548,0.00001976112,0.0001552913,0.002588985],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.008081724,"threshold_uncertainty_score":0.9999064,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03320498811195857,"score_gpt":0.2570276009413257,"score_spread":0.2238226128293671,"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."}}