{"id":"W2320321573","doi":"10.1021/jp2049525","title":"Antioxidant Potential of Glutathione: A Theoretical Study","year":2011,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry B","topic":"Free Radicals and Antioxidants","field":"Chemistry","cited_by":29,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"European Commission","keywords":"Chemistry; Bond-dissociation energy; Polarizable continuum model; Dissociation (chemistry); Polarizability; Computational chemistry; Density functional theory; Hydrogen bond; Physical chemistry; Solvent effects; Solvent; Molecule; Organic chemistry","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":[0.0002429019,0.0005426826,0.000515003,0.0008928828,0.0005346505,0.0003989369,0.0007318639,0.0006394647,0.004892997],"category_scores_gemma":[0.0003705388,0.0001704684,0.000651555,0.0008223966,0.0003445075,0.000481734,0.0004959523,0.0003235975,0.0005834895],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003088347,"about_ca_system_score_gemma":0.0002825713,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0008889681,"about_ca_topic_score_gemma":0.0007471826,"domain_scores_codex":[0.9999263,0.0000172601,0.000002551422,0.000008862804,0.0000294734,0.00001562457],"domain_scores_gemma":[0.9999076,0.00004086756,0.000006685119,0.00001445947,0.00002460706,0.000005803658],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.0002401898,0.00022761,0.002379331,0.002379819,0.0001257163,0.001427756,0.0003279923,0.620108,0.04449077,0.2562152,0.002953961,0.0691236],"study_design_scores_gemma":[0.00004987738,0.0003573222,0.001499573,0.0001133131,0.00006131355,0.0002419154,0.0001509896,0.9308606,0.007066178,0.05177012,0.007803278,0.00002549838],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7935175,0.01572304,0.08513288,0.001568299,0.0002113902,0.000107642,0.0006561479,0.0003226776,0.1027604],"genre_scores_gemma":[0.9760872,0.006325653,0.01204856,0.0001356802,0.00005558882,0.0001123129,0.0003042377,0.00003513045,0.004895697],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004892997,"threshold_uncertainty_score":0.01636875,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01068517193124233,"score_gpt":0.2314296698140227,"score_spread":0.2207444978827804,"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."}}