{"id":"W2404301061","doi":"10.1021/acs.jced.5b00667","title":"Solubility Measurement and Simulation of Rivaroxaban (Form I) in Solvent Mixtures from 273.15 to 323.15 K","year":2015,"lang":"en","type":"article","venue":"Journal of Chemical & Engineering Data","topic":"Crystallization and Solubility Studies","field":"Materials Science","cited_by":13,"is_retracted":false,"has_abstract":true,"ca_institutions":"Western University; University of Toronto","funders":"Science and Technology Commission of Shanghai Municipality; Natural Science Foundation of Jiangsu Province; National Natural Science Foundation of China; Deutsche Forschungsgemeinschaft","keywords":"Non-random two-liquid model; Solubility; Solvent; Chemistry; Methanol; Thermodynamics; Ethanol; Chromatography; Organic chemistry; Aqueous solution; Activity coefficient","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0011498,0.00009633519,0.0002780749,0.00005827334,0.000009757535,0.00002696387,0.0002999829,0.0000445219,0.00002507321],"category_scores_gemma":[0.002101298,0.00008198367,0.00002619754,0.00009406722,0.00002809902,0.0002313426,0.0002746782,0.00009893436,0.000001134689],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001178466,"about_ca_system_score_gemma":0.00004664473,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00004577215,"about_ca_topic_score_gemma":0.00001485702,"domain_scores_codex":[0.9986718,0.00001809631,0.000517922,0.0001636391,0.0004994626,0.000129073],"domain_scores_gemma":[0.9990932,0.00009598172,0.0001290326,0.0003041702,0.0002316132,0.0001460013],"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":[0.00009842185,0.0001089531,0.001288889,0.00005069996,0.0000183679,0.000002406719,0.0008758518,0.04981358,0.9466671,0.000008625458,0.0008362593,0.0002308647],"study_design_scores_gemma":[0.003130036,0.000271714,0.01296013,0.0006897124,0.0001183149,0.00000942727,0.0003784227,0.2151336,0.7565615,0.00192863,0.00821901,0.0005995081],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9790959,0.0004021799,0.01989104,0.0002576199,0.000186759,0.00008579541,0.00006246004,0.00001030089,0.000007943605],"genre_scores_gemma":[0.9946235,0.000006567213,0.005233288,0.00002725753,0.00008935817,8.264336e-7,0.00001195397,0.000006184627,0.000001086991],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1901056,"threshold_uncertainty_score":0.3343197,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.08614984173619933,"score_gpt":0.3009608626172162,"score_spread":0.2148110208810169,"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."}}