{"id":"W2022890730","doi":"10.1002/cjce.22082","title":"Development of a thermodynamic model of aqueous solution suited for foods and biological media. Part B: Prediction of standard formation properties","year":2014,"lang":"en","type":"article","venue":"The Canadian Journal of Chemical Engineering","topic":"Free Radicals and Antioxidants","field":"Chemistry","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Agence Nationale de la Recherche","keywords":"Gibbs free energy; Activity coefficient; Thermodynamics; Aqueous solution; Molecule; Dilution; Chemistry; COSMO-RS; Generalization; Statistical physics; Biological system; Physical chemistry; Mathematics; Organic chemistry; Physics","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":[0.0004234696,0.0004484111,0.0005364678,0.0003152568,0.0002796577,0.0004613125,0.0006845079,0.0007956984,0.001043858],"category_scores_gemma":[0.0007500223,0.0003397163,0.0007354467,0.0003002594,0.0004261425,0.0004973185,0.000360339,0.0004452184,0.0004107698],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004081861,"about_ca_system_score_gemma":0.0008093266,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003856576,"about_ca_topic_score_gemma":0.001369692,"domain_scores_codex":[0.9999012,0.0000328753,0.000005129572,0.00002111853,0.00003161894,0.000008149299],"domain_scores_gemma":[0.9998227,0.0001079107,0.00001444957,0.00001500455,0.00003101118,0.000009036567],"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":[0.00002531149,0.00002945633,0.0003908126,0.00007138715,0.00001206937,0.00005459612,0.00002188821,0.9700019,0.01374453,0.006335197,0.000236154,0.009076698],"study_design_scores_gemma":[0.000001650996,0.000006385995,0.00003620001,0.000001299383,0.000001182222,0.000003993247,0.000001193667,0.998257,0.0009972657,0.0005128146,0.000179389,0.000001535906],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.06561314,0.0004034896,0.9299533,0.0001296651,0.00004345636,0.0001037509,0.0001975016,0.0003107504,0.003244955],"genre_scores_gemma":[0.8130633,0.000767701,0.1792413,0.00007397702,0.00006187888,0.000640579,0.0004304522,0.0002408597,0.005480038],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.003856576,"threshold_uncertainty_score":0.007668257,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02695803058977976,"score_gpt":0.1811392436216605,"score_spread":0.1541812130318807,"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."}}