{"id":"W1980889069","doi":"10.1021/la049572d","title":"Acceleration of Nucleophilic Attack on an Organophosphorothioate Neurotoxin, Fenitrothion, by Reactive Counterion Cationic Micelles. Regioselectivity as a Probe of Substrate Orientation within the Micelle","year":2004,"lang":"en","type":"article","venue":"Langmuir","topic":"Surfactants and Colloidal Systems","field":"Chemistry","cited_by":81,"is_retracted":false,"has_abstract":true,"ca_institutions":"Queen's University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Regioselectivity; SN2 reaction; Micelle; Counterion; Aqueous solution; Nucleophile; Moiety; Critical micelle concentration; Pulmonary surfactant; Medicinal chemistry; Photochemistry; Organic chemistry; Combinatorial chemistry; Ion; Catalysis","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":[0.0002002022,0.0001842601,0.0002278239,0.00003315445,0.0001642315,0.00004740916,0.0002183654,0.0001259131,0.00007649848],"category_scores_gemma":[0.00003268741,0.0001449777,0.00005717733,0.0002906474,0.00007718056,0.000216424,0.00001778758,0.0001900756,0.00001474357],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001514778,"about_ca_system_score_gemma":0.0001364698,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002017941,"about_ca_topic_score_gemma":0.0004654089,"domain_scores_codex":[0.9986957,0.00007031748,0.0004039414,0.0003239481,0.0003436491,0.0001624645],"domain_scores_gemma":[0.9987952,0.00004720209,0.0005797938,0.0003534765,0.0001796474,0.00004471237],"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":[0.0003442894,0.0002893324,0.001344774,0.00007898445,0.00003101766,0.000001668912,0.003394304,0.0001358537,0.9936927,0.0004960991,0.00008721778,0.0001037552],"study_design_scores_gemma":[0.0008539291,0.0002093883,0.00270901,0.00007728608,0.00002554589,0.00001017653,0.001192114,0.00009451777,0.9940681,0.0002605757,0.0003450889,0.0001541958],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9970103,0.00005304525,0.00002220004,0.0001708027,0.00008048329,0.0005450149,0.0000391112,0.00004772939,0.002031347],"genre_scores_gemma":[0.9991961,0.00001312894,0.00002478362,0.00007929149,0.00005063578,0.0001014989,0.00007753652,0.00003394278,0.0004230796],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00220219,"threshold_uncertainty_score":0.5912021,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01663502235209215,"score_gpt":0.2554250229395661,"score_spread":0.238790000587474,"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."}}