{"id":"W2021886842","doi":"10.1021/jp049406e","title":"Reactions of One-Electron-Oxidized Methionine with Oxygen:  An ab Initio Study","year":2004,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry A","topic":"Free Radicals and Antioxidants","field":"Chemistry","cited_by":30,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"","keywords":"Chemistry; Radical; Photochemistry; Intramolecular force; Radical ion; Oxygen; Methanethiol; Sulfide; Sulfur; Medicinal chemistry; Organic chemistry; Ion","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":[0.0004631957,0.0008400413,0.001552187,0.0007262401,0.001490476,0.001016742,0.00172033,0.001798152,0.005465481],"category_scores_gemma":[0.0005076083,0.0005520683,0.001053672,0.0009493302,0.0007540653,0.001115307,0.0007104953,0.0008850388,0.0005019612],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001194448,"about_ca_system_score_gemma":0.001139002,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.012426,"about_ca_topic_score_gemma":0.009403409,"domain_scores_codex":[0.9998222,0.00003833775,0.000004478145,0.00001748194,0.00005175372,0.0000658078],"domain_scores_gemma":[0.9996234,0.000188668,0.00003267145,0.00003661737,0.00007711977,0.0000414672],"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":[0.0007052491,0.0004445866,0.003264714,0.001326064,0.0001666698,0.001755736,0.0004728059,0.9287799,0.01454574,0.03479784,0.003053219,0.01068753],"study_design_scores_gemma":[0.0001864711,0.0001811057,0.000828979,0.00004063086,0.00004263027,0.00004694695,0.0001256986,0.9919959,0.001421418,0.004119452,0.0009903769,0.0000204169],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9542952,0.002012344,0.008091998,0.0006121413,0.0001325362,0.00008326248,0.0005258638,0.0001636941,0.03408293],"genre_scores_gemma":[0.9908545,0.001075673,0.004252495,0.0001678399,0.00005526702,0.00009995003,0.0003504256,0.00005187575,0.003091976],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.012426,"threshold_uncertainty_score":0.02470732,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0177354182424113,"score_gpt":0.2743411352334901,"score_spread":0.2566057169910788,"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."}}