{"id":"W2116834311","doi":"10.1139/cjc-2014-0570","title":"Finding a single-molecule receptor for citramalic acid through supramolecular chelation","year":2015,"lang":"en","type":"article","venue":"Canadian Journal of Chemistry","topic":"Crystallography and molecular interactions","field":"Chemistry","cited_by":4,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"","keywords":"Chemistry; Cocrystal; Hydrogen bond; Supramolecular chemistry; Molecule; Acceptor; Crystallography; Stereochemistry; Solid-state; Chelation; Crystal structure; Inorganic chemistry; Organic chemistry","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":true,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001412332,0.000168561,0.0002028596,0.00006627118,0.0001124224,0.0001076171,0.0002592815,0.0002033107,0.0005280654],"category_scores_gemma":[0.0004917521,0.0001893723,0.0003006377,0.0001506872,0.00008694401,0.0001799219,0.000008826318,0.0003168746,0.000003175178],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003176607,"about_ca_system_score_gemma":0.001037986,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001962242,"about_ca_topic_score_gemma":0.0002944263,"domain_scores_codex":[0.9989301,0.00001059867,0.0003806496,0.000167169,0.0001709959,0.0003404608],"domain_scores_gemma":[0.9984373,0.00002804224,0.0002878685,0.0002062281,0.0003959016,0.0006446927],"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":[0.00003431233,0.00003487247,0.0001591186,0.00007012166,0.000107843,0.00006680833,0.0005260297,0.00005421827,0.9933208,0.0000345904,0.005407823,0.0001835025],"study_design_scores_gemma":[0.0008260952,0.00003433364,0.000003158651,0.0001182257,0.0000536858,0.0003419652,0.0009122833,0.00002509781,0.8469381,0.0002726626,0.1502833,0.000191123],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9474337,0.00182397,0.02382726,0.000781833,0.0004654971,0.000094405,0.0001799432,0.00002788667,0.02536549],"genre_scores_gemma":[0.9950238,0.000004231763,0.003631928,0.0001376777,0.0003267128,0.000008855107,0.00009600422,0.00003555696,0.000735196],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1463827,"threshold_uncertainty_score":0.7722377,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03521824640321036,"score_gpt":0.2559940176755431,"score_spread":0.2207757712723328,"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."}}