{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000163206,0.0003869831,0.0003932289,0.0001452778,0.0002173812,0.0003178156,0.0003801207,0.0003219103,0.0006449691],"category_scores_gemma":[0.0002254391,0.0001930073,0.0001814555,0.000100932,0.0002417794,0.000226172,0.0002713522,0.0003550747,0.0002389656],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003813035,"about_ca_system_score_gemma":0.0001428276,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001490979,"about_ca_topic_score_gemma":0.002145936,"domain_scores_codex":[0.9997987,0.00003229247,0.000009362899,0.00004313445,0.00005720826,0.0000592064],"domain_scores_gemma":[0.999895,0.0000330409,0.00001961744,0.000009733712,0.00002301162,0.00001959955],"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":[0.00002503248,0.00001097675,0.00009070474,0.00003664946,0.000004877362,0.00002814579,0.0000314092,0.00007809945,0.9991798,0.00003406261,0.0000151825,0.0004650014],"study_design_scores_gemma":[0.000003123747,0.0000501996,0.000762817,0.00000296167,0.000006415127,0.00002824183,0.00002041782,0.002106926,0.9967802,0.000008116127,0.0002266893,0.000003968948],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9974613,0.000393828,0.001486637,0.00003483951,0.00001201617,0.00001270064,0.00003416842,0.00004974781,0.0005147458],"genre_scores_gemma":[0.9972178,0.0002202011,0.001781873,0.00002938667,0.00000521156,0.00001331046,0.0000533877,0.00001174032,0.0006671213],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001490979,"threshold_uncertainty_score":0.002964556,"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."}}