{"id":"W4383312009","doi":"10.1002/ange.202307180","title":"Non‐Covalent Interactions Enforce Conformation in Switchable and Water‐Soluble Diketopiperazine‐Pyridine Foldamers","year":2023,"lang":"en","type":"article","venue":"Angewandte Chemie","topic":"Chemical Synthesis and Analysis","field":"Biochemistry, Genetics and Molecular Biology","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Engineering and Physical Sciences Research Council; Queen's University; Queen's University Belfast; Royal Society of Chemistry; Department for the Economy","keywords":"Foldamer; Chemistry; Epimer; Pyridine; Molecule; Racemization; Dynamic covalent chemistry; Covalent bond; Combinatorial chemistry; Stereochemistry; Supramolecular chemistry; Organic chemistry","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00008481274,0.0001571771,0.00008967703,0.00004444149,0.00007710147,0.0001667677,0.0001274449,0.000118374,0.001102654],"category_scores_gemma":[0.000155136,0.0001032943,0.00006256773,0.00005814148,0.0001670228,0.0001670851,0.0001244343,0.0002182142,0.0002040622],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001556861,"about_ca_system_score_gemma":0.00007674782,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001928063,"about_ca_topic_score_gemma":0.000375804,"domain_scores_codex":[0.9999433,0.00001072698,0.000002585722,0.00001261514,0.00001401932,0.00001673862],"domain_scores_gemma":[0.9999424,0.00001445521,0.00001715859,0.000007403857,0.000004161418,0.00001436886],"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":[0.00003944656,0.00001357332,0.00005848251,0.00001311051,0.000002296878,0.00004697051,0.00001802504,0.0003006903,0.9979018,0.0003083336,0.00002464227,0.0012726],"study_design_scores_gemma":[0.00001417926,0.0001669315,0.0008012432,0.000002371735,0.000003316854,0.00006635695,0.00001433936,0.001905054,0.9958795,0.00008706815,0.001054986,0.000004760136],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9964949,0.0001854579,0.002039993,0.00001653592,0.000006720604,0.00000740084,0.00002441345,0.00003910727,0.00118537],"genre_scores_gemma":[0.9984576,0.00006446058,0.000697658,0.00001190426,0.000001626138,0.00000497373,0.00001623022,0.00000584886,0.0007395744],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001102654,"threshold_uncertainty_score":0.003688753,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01122041051591714,"score_gpt":0.2489745055640882,"score_spread":0.237754095048171,"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."}}