{"id":"W2549644834","doi":"10.3390/molecules21111568","title":"Factors Affecting the Formation of 2:1 Host:Guest Inclusion Complexes of 2-[(R-Phenyl)amine]-1,4-naphthalenediones (PAN) in β- and γ-Cyclodextrins","year":2016,"lang":"en","type":"article","venue":"Molecules","topic":"Drug Solubulity and Delivery Systems","field":"Pharmacology, Toxicology and Pharmaceutics","cited_by":11,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Prince Edward Island; Université de Moncton","funders":"Natural Sciences and Engineering Research Council of Canada; Universidad Nacional Autónoma de México; Université de Moncton","keywords":"Stoichiometry; Steric effects; Chemistry; Cyclodextrin; Amine gas treating; Host (biology); Inclusion compound; Crystallography; Computational chemistry; Stereochemistry; 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":[0.000452062,0.0004006395,0.0002886758,0.0001597149,0.0001239597,0.0005597461,0.0001905543,0.0002198333,0.001051344],"category_scores_gemma":[0.001104922,0.0002454678,0.00007973937,0.0001446486,0.0002881195,0.0003607729,0.0002184917,0.0002409797,0.0002743665],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000318673,"about_ca_system_score_gemma":0.0002123487,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005121414,"about_ca_topic_score_gemma":0.000763397,"domain_scores_codex":[0.9995911,0.0001279267,0.00004552393,0.00008536087,0.0001025979,0.00004751936],"domain_scores_gemma":[0.9993187,0.0004068644,0.0001388839,0.00002174243,0.00006108083,0.0000526743],"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":[0.0001291958,0.00002680735,0.0008797524,0.00005101065,0.000007963989,0.00003993907,0.00003082878,0.0002808766,0.9976512,0.00004254245,0.00001962723,0.000840247],"study_design_scores_gemma":[0.000007754804,0.0001380789,0.003656592,0.000003018806,0.00001340879,0.00006379886,0.000021965,0.001079331,0.9946021,0.00001460315,0.00039467,0.000004854553],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9978263,0.0003763114,0.0009703852,0.00002497631,0.000006210524,0.00002921996,0.00007216818,0.00002742395,0.0006669805],"genre_scores_gemma":[0.9985477,0.0002197619,0.0007379164,0.0000129577,0.000002297366,0.00002198175,0.00008527673,0.00001407457,0.0003580384],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001051344,"threshold_uncertainty_score":0.003517091,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.1031891850559672,"score_gpt":0.3775010362451683,"score_spread":0.2743118511892011,"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."}}