{"id":"W4376127368","doi":"10.1021/acsomega.3c01764","title":"Computational Insights into the Formation and Structure of S–N Containing Cyclic Peptides","year":2023,"lang":"en","type":"article","venue":"ACS Omega","topic":"Chemical Synthesis and Analysis","field":"Biochemistry, Genetics and Molecular Biology","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Windsor","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Cyclic peptide; Chemistry; Peptide; Biochemistry","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":[0.00003524883,0.00004309159,0.00006118865,0.00002011382,0.0000553806,0.00001054774,0.00005542159,0.00003736841,0.000001259422],"category_scores_gemma":[0.00005014976,0.00002830671,0.00002676405,0.00009066462,0.00004286844,0.000003297604,0.00005019079,0.00002493599,0.000001149052],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000002606063,"about_ca_system_score_gemma":0.000006088545,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001348452,"about_ca_topic_score_gemma":0.00002645342,"domain_scores_codex":[0.9996995,0.00001374104,0.00009291261,0.00007856352,0.0000632786,0.00005202506],"domain_scores_gemma":[0.9998095,0.00003193798,0.00004231941,0.00007053948,0.00003002772,0.00001564425],"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":[0.000008129542,0.000003256387,0.001084917,0.00001031175,0.00003177534,1.826147e-7,0.0004052295,0.0003616182,0.9927216,0.0002128237,0.0002477699,0.004912341],"study_design_scores_gemma":[0.0002420194,0.00005335198,0.01282768,0.0000145581,0.00002899408,0.000002648456,0.0006893291,0.002765565,0.9692869,0.006143319,0.007838188,0.0001074824],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9992792,0.0002686269,0.0001340744,0.0001981178,0.000008032818,0.00002625629,0.000003071206,0.000004394108,0.0000781976],"genre_scores_gemma":[0.9995422,0.0000878693,0.00009845802,0.00008529901,0.00003992991,0.000001522586,0.0001148702,0.000003424061,0.00002646911],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02343478,"threshold_uncertainty_score":0.1154314,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006921139175482727,"score_gpt":0.2334729878542377,"score_spread":0.226551848678755,"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."}}