{"id":"W4383311914","doi":"10.1002/anie.202307180","title":"Non‐Covalent Interactions Enforce Conformation in Switchable and Water‐Soluble Diketopiperazine‐Pyridine Foldamers","year":2023,"lang":"en","type":"article","venue":"Angewandte Chemie International Edition","topic":"Chemical Synthesis and Analysis","field":"Biochemistry, Genetics and Molecular Biology","cited_by":9,"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; Covalent bond; Dynamic covalent chemistry; 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":[0.00009101166,0.0001722746,0.0001031168,0.00004470976,0.00008196097,0.0001874686,0.0001432193,0.0001257214,0.0009004072],"category_scores_gemma":[0.0001661546,0.0001257718,0.00006509666,0.0000649341,0.0001724605,0.0002066099,0.0001463834,0.0002398389,0.0002058788],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001475662,"about_ca_system_score_gemma":0.00008842131,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000202341,"about_ca_topic_score_gemma":0.0004823573,"domain_scores_codex":[0.9999412,0.00001153909,0.000002970831,0.00001308546,0.00001458926,0.0000166782],"domain_scores_gemma":[0.9999452,0.00001482302,0.00001754475,0.000006521362,0.00000355449,0.00001238522],"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":[0.00003723567,0.00001146334,0.00005854362,0.00001700958,0.000002040458,0.00004925835,0.0000248336,0.0002854466,0.9973454,0.0003153871,0.00002233489,0.001831096],"study_design_scores_gemma":[0.00001407759,0.0001634312,0.0008887823,0.000002751614,0.000003976448,0.00008905624,0.00001919604,0.001419677,0.9960462,0.0001059662,0.001241492,0.000005249632],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9956999,0.0002901433,0.002474755,0.00001964302,0.000007504229,0.00000887101,0.00002517348,0.00004725851,0.001426839],"genre_scores_gemma":[0.9978318,0.000135959,0.001078648,0.00001708563,0.000002412143,0.00000738782,0.00002209533,0.00000774516,0.0008968528],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0009004072,"threshold_uncertainty_score":0.00301218,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01000786410619431,"score_gpt":0.2577608710408103,"score_spread":0.247753006934616,"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."}}