{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002225296,0.0007246044,0.0002847749,0.0003267749,0.000286874,0.0004203143,0.0006675483,0.000587438,0.003957987],"category_scores_gemma":[0.0002882715,0.0002073953,0.0004972298,0.0002080532,0.0003387799,0.001009453,0.0005175173,0.0006395994,0.0004182142],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002384742,"about_ca_system_score_gemma":0.0001657066,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003473998,"about_ca_topic_score_gemma":0.0004445151,"domain_scores_codex":[0.999918,0.000009487,0.000003954944,0.00001774853,0.00002482999,0.00002598807],"domain_scores_gemma":[0.999925,0.00003170092,0.0000168116,0.000009862129,0.000009050068,0.000007559365],"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":[0.001013145,0.0003757334,0.01263913,0.004623087,0.0004623422,0.004607256,0.001330696,0.1013918,0.670084,0.1376198,0.002847926,0.06300512],"study_design_scores_gemma":[0.000320613,0.002252259,0.02110255,0.0003353465,0.0004388693,0.003393338,0.001529129,0.4363659,0.4185353,0.0942129,0.02134242,0.00017143],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9545039,0.003634876,0.02902098,0.0002375414,0.00007025542,0.00007266039,0.0003992659,0.0002137845,0.01184682],"genre_scores_gemma":[0.9925495,0.002001771,0.004165253,0.0000384995,0.00001216249,0.00004877991,0.0003491757,0.00002802948,0.0008067573],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003957987,"threshold_uncertainty_score":0.01324081,"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."}}