{"id":"W3022983676","doi":"10.1021/acs.cgd.0c00532","title":"Heads or Tails? Sandwich-Type Metallo Complexes of Hexakis(2,3-di-<i>O</i>-methyl)-α-cyclodextrin","year":2020,"lang":"en","type":"article","venue":"Crystal Growth & Design","topic":"Drug Solubulity and Delivery Systems","field":"Pharmacology, Toxicology and Pharmaceutics","cited_by":9,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University","funders":"H2020 Marie Skłodowska-Curie Actions; European Regional Development Fund; Jyväskylän Yliopisto; Academy of Finland; Central European Institute of Technology; Grantová Agentura České Republiky; Ministerstvo Školství, Mládeže a Tělovýchovy; European Commission","keywords":"Cyclodextrin; Chemistry; Crystallography; Stereochemistry; Medicinal chemistry; Organic chemistry","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":[0.00008774405,0.0002203959,0.0002053761,0.00007955063,0.00008895928,0.0003169804,0.0002097693,0.0001871036,0.000741532],"category_scores_gemma":[0.0001220651,0.0001357437,0.0001143974,0.0000798938,0.0001478007,0.000174078,0.0002422345,0.0002033889,0.0003524148],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001946804,"about_ca_system_score_gemma":0.0001268772,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002855982,"about_ca_topic_score_gemma":0.0004847118,"domain_scores_codex":[0.9999013,0.0000150782,0.0000083061,0.00003277754,0.00001864595,0.00002393954],"domain_scores_gemma":[0.9999403,0.000008250559,0.00001431225,0.00001007832,0.000007740712,0.00001935849],"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":[0.0001446205,0.00001656072,0.0001522661,0.00004598943,0.000006903682,0.00005627895,0.00001787862,0.0001736767,0.9973863,0.000289567,0.00009249207,0.001617528],"study_design_scores_gemma":[0.00001134988,0.0001419528,0.0005131183,0.000002695458,0.000009656212,0.0001167223,0.00001634832,0.001080649,0.9962037,0.00004004508,0.0018575,0.000006216696],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9908512,0.0007130699,0.005122705,0.00006576689,0.00003521622,0.00002898368,0.0001118745,0.0001445267,0.00292665],"genre_scores_gemma":[0.9945493,0.0003521668,0.002383343,0.00004815011,0.000005597532,0.00001719462,0.00006913234,0.00001694258,0.002558189],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.000741532,"threshold_uncertainty_score":0.002480686,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.2531910196647747,"score_gpt":0.4074168885996087,"score_spread":0.154225868934834,"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."}}