{"id":"W2902586537","doi":"10.1021/acsomega.8b02964","title":"Theoretical Study of the Reactivity and Selectivity of Various Free Radicals with Cysteine Residues","year":2018,"lang":"en","type":"article","venue":"ACS Omega","topic":"Free Radicals and Antioxidants","field":"Chemistry","cited_by":9,"is_retracted":false,"has_abstract":true,"ca_institutions":"Thompson Rivers University","funders":"Dirección General de Asuntos del Personal Académico, Universidad Nacional Autónoma de México; Natural Sciences and Engineering Research Council of Canada; Consejo Nacional de Ciencia y Tecnología","keywords":"Radical; Reactivity (psychology); Cysteine; Selectivity; Chemistry; Combinatorial chemistry; Organic chemistry; Medicine; 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":[0.0002427042,0.0001219377,0.0002922819,0.00002099163,0.00008719426,0.00001163921,0.0002993532,0.00008320186,0.00003748512],"category_scores_gemma":[0.0004120809,0.00007047455,0.00002949342,0.0001660716,0.001144215,0.00005583667,0.0001761454,0.0001803742,5.868012e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0000121311,"about_ca_system_score_gemma":0.00004523599,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000351391,"about_ca_topic_score_gemma":0.0005365587,"domain_scores_codex":[0.998981,0.00007694623,0.0002017659,0.0002340504,0.0003355287,0.0001706942],"domain_scores_gemma":[0.9987907,0.0002425465,0.0001807318,0.0006448146,0.00008374207,0.00005744746],"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":[0.0005757206,0.002604493,0.2952061,0.0002077096,0.0002690607,0.00001726515,0.001242016,7.639582e-7,0.6804154,0.01458009,0.0004356809,0.00444568],"study_design_scores_gemma":[0.002798141,0.00143038,0.1550684,0.0001923319,0.0001453138,0.00005037247,0.0003909244,0.00007854961,0.8313602,0.008057917,0.0002062786,0.0002212152],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9942753,0.00007384349,0.00002198211,0.0001641626,0.00001890617,0.0001037635,0.00001809871,0.00002098912,0.005302949],"genre_scores_gemma":[0.999718,0.00000877746,0.00008045557,0.00001556987,0.00008055039,0.000004955722,3.841855e-7,0.00001427326,0.00007707956],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1509447,"threshold_uncertainty_score":0.4215907,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00658057125725132,"score_gpt":0.2240744311028559,"score_spread":0.2174938598456046,"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."}}