{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002594888,0.0006165801,0.000402679,0.000229603,0.0001640147,0.0002613057,0.0002895874,0.0003519477,0.0008277924],"category_scores_gemma":[0.0004083087,0.0002781317,0.0002963044,0.0001868413,0.0002118959,0.0002764274,0.0002101175,0.0003507886,0.0003219969],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003007118,"about_ca_system_score_gemma":0.0001418772,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00202722,"about_ca_topic_score_gemma":0.002227228,"domain_scores_codex":[0.9996763,0.00008766773,0.00002183163,0.00005323548,0.00009313218,0.00006771369],"domain_scores_gemma":[0.9996637,0.0001478441,0.00005429543,0.0000219388,0.00006586334,0.00004627202],"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":[0.0001016553,0.00002929099,0.0001350685,0.00003286654,0.00001090654,0.00001372509,0.00002179029,0.0002244021,0.9988505,0.00001407881,0.00001122931,0.0005543363],"study_design_scores_gemma":[0.000003328748,0.0003110583,0.002697852,0.000003285089,0.00001399439,0.00005089276,0.00001873324,0.001279644,0.9952951,0.000007262609,0.0003115612,0.000007269441],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9975198,0.001069923,0.00079426,0.00001900089,0.000007783088,0.00001089262,0.00006379852,0.00001994573,0.0004945581],"genre_scores_gemma":[0.9960156,0.0009668486,0.001246006,0.00004911154,0.000007423075,0.00002054622,0.0001896222,0.00001127709,0.001493423],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00202722,"threshold_uncertainty_score":0.004030824,"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."}}