{"id":"W2507281072","doi":"10.1002/anie.201607281","title":"Rotationally Active Ligands: Dialing‐Up the Co‐conformations of a [2]Rotaxane for Metal Ion Binding","year":2016,"lang":"en","type":"article","venue":"Angewandte Chemie International Edition","topic":"Supramolecular Chemistry and Complexes","field":"Chemistry","cited_by":44,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Windsor","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Rotaxane; Metal; Chemistry; Metal ions in aqueous solution; Ion; Crystallography; Stereochemistry; Crystal structure; Organic chemistry; Supramolecular 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":[0.0002069615,0.0003300247,0.0002545578,0.0001099187,0.0002223086,0.0004524621,0.0004692383,0.0002990576,0.001783503],"category_scores_gemma":[0.0002148445,0.0001910839,0.0001203144,0.0001475938,0.0003042392,0.0005897788,0.0004328512,0.0004110668,0.0007011426],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002689766,"about_ca_system_score_gemma":0.0001908395,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002185882,"about_ca_topic_score_gemma":0.0004064968,"domain_scores_codex":[0.9998626,0.00004767332,0.000009317231,0.00003558082,0.00001422745,0.00003074116],"domain_scores_gemma":[0.9998696,0.0000165774,0.00004503507,0.00002105687,0.00001383528,0.00003388673],"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":[0.0004673451,0.00005453198,0.000173993,0.0001595094,0.000008957634,0.0001165651,0.0001500606,0.00149557,0.9784262,0.007257806,0.0004311122,0.01125845],"study_design_scores_gemma":[0.0002232363,0.001151572,0.0005139928,0.0000317578,0.00002427114,0.0004385848,0.00008956149,0.004800062,0.955294,0.001247065,0.0360924,0.00009357264],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9675436,0.001266988,0.02178844,0.0003552958,0.0000819431,0.00006783514,0.0001677225,0.0003685058,0.008359711],"genre_scores_gemma":[0.972764,0.0007784964,0.02088437,0.0002798613,0.00003196837,0.0001217911,0.0002016673,0.00007341966,0.004864358],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001783503,"threshold_uncertainty_score":0.005966365,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0219757826003783,"score_gpt":0.2780352570994369,"score_spread":0.2560594744990586,"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."}}