{"id":"W2599436986","doi":"10.1021/acs.jpcc.7b01135","title":"Host–Guest Interaction at Molecular Interfaces: Binding of Cucurbit[7]uril on Ferrocenyl Self-Assembled Monolayers on Gold","year":2017,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry C","topic":"Molecular Junctions and Nanostructures","field":"Engineering","cited_by":16,"is_retracted":false,"has_abstract":true,"ca_institutions":"Simon Fraser University","funders":"China Scholarship Council; Natural Sciences and Engineering Research Council of Canada; National Natural Science Foundation of China","keywords":"Monolayer; Supramolecular chemistry; Chemistry; Redox; Ferrocene; Dissociation constant; Molecular recognition; Binding constant; Self-assembled monolayer; Molecular binding; Cucurbituril; Biomolecule; Dissociation (chemistry); Crystallography; Molecule; Stereochemistry; Binding site; Physical chemistry; Inorganic chemistry; Electrochemistry; Organic chemistry; Receptor","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":[0.00009919763,0.0001760115,0.000241591,0.00003545462,0.0001044031,0.00004002905,0.0003968257,0.00006490837,0.00001559767],"category_scores_gemma":[0.00004948181,0.0001227969,0.0001656841,0.00004984869,0.00002387885,0.000101096,0.00005509925,0.0004383594,0.00001113882],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001495865,"about_ca_system_score_gemma":0.00001345272,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000004429889,"about_ca_topic_score_gemma":5.997231e-7,"domain_scores_codex":[0.9992476,0.00002126149,0.0002383408,0.00009023234,0.0002531413,0.0001494616],"domain_scores_gemma":[0.9991038,0.00006532705,0.0003084663,0.0003851969,0.00006503226,0.00007211757],"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":[0.0001339681,0.00006633522,0.00001233181,0.00006562647,0.0001445578,0.00001032643,0.0001757252,0.006777678,0.9919276,0.00001274435,0.0005407541,0.0001323716],"study_design_scores_gemma":[0.0003648741,0.0001487137,0.0001158054,0.000197393,0.00008479507,0.00003458558,0.00006676732,0.003235248,0.995203,0.00003275728,0.0004000264,0.000116056],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9955744,0.00004613231,0.00004225272,0.00006576821,0.0003494262,0.00004521198,0.00000299726,0.00002301826,0.003850794],"genre_scores_gemma":[0.9995617,0.00003373459,0.00002525181,0.00001140616,0.0002869076,0.000001035195,8.864791e-7,0.0000264416,0.00005257976],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003987358,"threshold_uncertainty_score":0.5007514,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008209454676319288,"score_gpt":0.2404286289566316,"score_spread":0.2322191742803124,"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."}}