{"id":"W4327710985","doi":"10.1021/acs.joc.3c00113","title":"1,3,5,8-Tetrasubstituted 1,3,4-Benzotriazepin-2-one Scaffolds for β-Turn Mimicry without Stereogenic Carbon Centers: Synthesis and Conformational Analysis","year":2023,"lang":"en","type":"article","venue":"The Journal of Organic Chemistry","topic":"Chemical Synthesis and Analysis","field":"Biochemistry, Genetics and Molecular Biology","cited_by":3,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Montréal","funders":"Natural Sciences and Engineering Research Council of Canada; Fonds de recherche du Québec – Nature et technologies; Canadian Institutes of Health Research","keywords":"Stereocenter; Turn (biochemistry); Mimicry; Residue (chemistry); Chemistry; Stereochemistry; Peptide; Chirality (physics); Molecular mimicry; Combinatorial chemistry; Enantioselective synthesis; Biology; Organic chemistry; Catalysis; Biochemistry; Physics; Ecology; Chiral symmetry","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0006560552,0.0001885529,0.0004073131,0.00008041757,0.000104561,0.00004133139,0.0003504704,0.0001567852,0.0001323846],"category_scores_gemma":[0.0003109247,0.0001406893,0.0003598433,0.000433987,0.000108433,0.000009173259,0.0001021684,0.00009607821,0.000001809001],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003531125,"about_ca_system_score_gemma":0.00008530341,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000005612746,"about_ca_topic_score_gemma":0.000007600385,"domain_scores_codex":[0.9987342,0.00004176173,0.0005344732,0.0001792989,0.0002611928,0.0002491105],"domain_scores_gemma":[0.9987863,0.0001690114,0.0004316926,0.0002911015,0.0001890411,0.0001328069],"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":[0.0001701313,0.00004054476,0.002040066,0.00005693271,0.002047614,9.816913e-7,0.00004244318,0.00003011346,0.994903,9.025209e-7,0.0002484604,0.000418768],"study_design_scores_gemma":[0.0005783738,0.00003168045,0.001681748,0.00003955696,0.002312715,0.00005493594,0.0002599728,0.0005867523,0.9935368,0.0000314818,0.0006996123,0.0001863791],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9979432,0.0006866911,0.0005830124,0.0004951691,0.00003800941,0.00007843957,0.00005083998,0.00001072262,0.0001139619],"genre_scores_gemma":[0.9982662,0.0008668139,0.0001635045,0.00006408514,0.0003330859,0.000004957995,0.00006357112,0.00002209214,0.0002156478],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00136625,"threshold_uncertainty_score":0.5737141,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01191047232857665,"score_gpt":0.2332997283161322,"score_spread":0.2213892559875555,"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."}}