{"id":"W3134048506","doi":"10.1016/j.tet.2021.132052","title":"Host-guest chemistry of the sulfasalazine-β-cyclodextrin inclusion complex","year":2021,"lang":"en","type":"article","venue":"Tetrahedron","topic":"Drug Solubulity and Delivery Systems","field":"Pharmacology, Toxicology and Pharmaceutics","cited_by":20,"is_retracted":false,"has_abstract":false,"ca_institutions":"Université du Québec à Montréal","funders":"","keywords":"Chemistry; Isothermal titration calorimetry; Cyclodextrin; Bioavailability; Nuclear magnetic resonance spectroscopy; Thermogravimetric analysis; Benzoic acid; Moiety; Molecular model; Solubility; Inclusion compound; Combinatorial chemistry; Organic chemistry; Stereochemistry; Physical chemistry; Pharmacology","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":[0.0001103525,0.0001626604,0.0001816164,0.00008886737,0.0001574622,0.0002588168,0.0001688515,0.0001721809,0.001868932],"category_scores_gemma":[0.0001050749,0.0001032538,0.00007686728,0.0001068003,0.0001476376,0.0001439562,0.0002122936,0.0002111647,0.0002849189],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002577657,"about_ca_system_score_gemma":0.0002607967,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0008508567,"about_ca_topic_score_gemma":0.001265443,"domain_scores_codex":[0.9999069,0.00001438808,0.000006332702,0.00001913914,0.00002193495,0.00003135093],"domain_scores_gemma":[0.9999598,0.00001177151,0.00001096164,0.000004681755,0.000004057901,0.000008748223],"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":[0.0002422882,0.00001753987,0.0001002559,0.00006412222,0.000005425698,0.0001049785,0.00005198746,0.0003197348,0.996813,0.0008114688,0.00008116785,0.00138801],"study_design_scores_gemma":[0.00002067169,0.0002154708,0.0006003069,0.00000449867,0.000007643174,0.00007788362,0.00001597065,0.001078251,0.9959417,0.00003726473,0.001994638,0.000005699259],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9932262,0.0003612189,0.001734225,0.00006658354,0.00001764623,0.00002439992,0.00007035884,0.00007161918,0.004427741],"genre_scores_gemma":[0.9973253,0.0002389902,0.0006236725,0.00001556273,0.000003914006,0.000007184323,0.00004185029,0.00001096177,0.001732507],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001868932,"threshold_uncertainty_score":0.006252229,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.1047162130880549,"score_gpt":0.3940587392906386,"score_spread":0.2893425262025837,"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."}}