{"id":"W2050385440","doi":"10.5539/ijc.v4n4p1","title":"Oxygen Activation in Lipoxygenase Model Reaction Studied with Density Functional Theory","year":2012,"lang":"en","type":"article","venue":"International Journal of Chemistry","topic":"Free Radicals and Antioxidants","field":"Chemistry","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"","keywords":"Chemistry; Cyclam; Deprotonation; Moiety; Density functional theory; Methylene; Oxygen; Photochemistry; Derivative (finance); Computational chemistry; Oxygen atom; Proton; Ion; Medicinal chemistry; Stereochemistry; Molecule; Organic chemistry; Metal","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":true,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000557193,0.0007301011,0.001698819,0.0006786553,0.00122573,0.0009978898,0.001570127,0.001830464,0.003686362],"category_scores_gemma":[0.0008069744,0.0004002254,0.001236887,0.0007164839,0.0007912536,0.0007831749,0.0005515795,0.001058318,0.0002395703],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001401906,"about_ca_system_score_gemma":0.001397126,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01219127,"about_ca_topic_score_gemma":0.006937754,"domain_scores_codex":[0.9997904,0.00006942451,0.000006303724,0.00002195925,0.00004554903,0.00006636295],"domain_scores_gemma":[0.9995816,0.0002464878,0.00003059009,0.00003047231,0.00006907002,0.00004168092],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.000281343,0.0002804335,0.002604381,0.0003767658,0.0001429321,0.0005766302,0.0001143651,0.9669157,0.004584884,0.020651,0.0009242396,0.002547274],"study_design_scores_gemma":[0.00005950831,0.00006177078,0.0003951373,0.0000111175,0.00002219375,0.00001944989,0.00003743733,0.9964096,0.000529211,0.002225324,0.0002173052,0.00001202933],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9678974,0.001006741,0.01616905,0.0007302742,0.000125324,0.0001190518,0.0008968561,0.0001356894,0.01291972],"genre_scores_gemma":[0.9910682,0.0004490519,0.005790927,0.000131272,0.00002453688,0.0002418922,0.000677418,0.00002921439,0.001587537],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01219127,"threshold_uncertainty_score":0.02424061,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01639682610447143,"score_gpt":0.2422774937979963,"score_spread":0.2258806676935249,"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."}}