{"id":"W2414851444","doi":"10.1021/acs.jpcb.5b07157","title":"Structure–Binding Effects: Comparative Binding of 2-Anilino-6-naphthalenesulfonate by a Series of Alkyl- and Hydroxyalkyl-Substituted β-Cyclodextrins","year":2015,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry B","topic":"Drug Solubulity and Delivery Systems","field":"Pharmacology, Toxicology and Pharmaceutics","cited_by":10,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Prince Edward Island","funders":"Natural Sciences and Engineering Research Council of Canada; Région Normandie","keywords":"Chemistry; Alkyl; Binding constant; Cyclodextrin; Molecule; Aqueous solution; Fluorescence spectroscopy; Fluorescence; Stereochemistry; Binding site; Crystallography; Organic chemistry","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":[0.0008220272,0.0002188365,0.0006684394,0.00003591805,0.0001115641,0.00001009997,0.0003379764,0.0001616089,0.00002483088],"category_scores_gemma":[0.0001604179,0.0001533057,0.0001347738,0.0002012466,0.0005591197,0.0002006558,0.00008696447,0.0007887266,0.000002687658],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00005291085,"about_ca_system_score_gemma":0.00009961442,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001752084,"about_ca_topic_score_gemma":0.000001450234,"domain_scores_codex":[0.9983144,0.0004523113,0.0005620613,0.0001294995,0.0003147501,0.0002269579],"domain_scores_gemma":[0.9974277,0.0009312585,0.00101626,0.0001501986,0.0002533137,0.0002212526],"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":[0.00114433,0.0002413673,0.001594302,0.0003218379,0.0004712687,0.00001161276,0.004147239,0.001654815,0.9894803,0.00004858735,0.0006879724,0.0001963657],"study_design_scores_gemma":[0.001909631,0.000243501,0.0001455615,0.0001038292,0.0004086552,0.0001681376,0.001053196,0.001808699,0.9926625,0.0004073763,0.0009380518,0.0001508846],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9974294,0.00109466,0.0000320203,0.00005625108,0.0002129014,0.0001439813,0.0002338951,0.00000933177,0.0007876176],"genre_scores_gemma":[0.9994754,0.00008227763,0.00002733012,0.00001493379,0.0002336384,0.000001421375,0.000009627394,0.00001067782,0.000144675],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003182175,"threshold_uncertainty_score":0.6251625,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.08201851581611114,"score_gpt":0.3820421099461634,"score_spread":0.3000235941300523,"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."}}