{"id":"W2330441870","doi":"10.1021/ja503776z","title":"A Rotamer Library to Enable Modeling and Design of Peptoid Foldamers","year":2014,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Chemical Synthesis and Analysis","field":"Biochemistry, Genetics and Molecular Biology","cited_by":50,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Division of Chemistry; National Institute of Allergy and Infectious Diseases; National Institute of General Medical Sciences; National Eye Institute; York University; New York University Abu Dhabi; National Cancer Institute; National Institutes of Health; National Science Foundation","keywords":"Peptoid; Conformational isomerism; Chemistry; Side chain; Foldamer; Context (archaeology); Computational chemistry; Stereochemistry; Molecule; Peptide; 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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002004653,0.00009685553,0.0002773459,0.000009695524,0.00003164608,0.00001348746,0.0002658882,0.0000448712,0.000008767233],"category_scores_gemma":[0.0001528635,0.00006258536,0.0003798971,0.0001538898,0.0001496441,0.000005610424,0.0001370791,0.0001105784,3.211391e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000009765968,"about_ca_system_score_gemma":0.00003090949,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001044287,"about_ca_topic_score_gemma":5.078592e-8,"domain_scores_codex":[0.9992604,0.00004893111,0.0002596831,0.000132192,0.0001553672,0.0001434109],"domain_scores_gemma":[0.9993489,0.00004573522,0.0002754111,0.0001675261,0.00005003887,0.0001123873],"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":[0.00004114827,0.00003049168,0.0006839874,0.000006648235,0.0001057653,5.791561e-8,0.00003808086,0.0008592796,0.9933684,0.000001657787,0.002958361,0.001906134],"study_design_scores_gemma":[0.0001448742,0.000096706,0.00003672714,0.000024066,0.00006208164,0.000007497436,0.0001335878,0.002939287,0.9940908,0.000123434,0.00225002,0.00009090877],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9773353,0.0001667385,0.02131632,0.001052705,0.00001356638,0.00003754888,0.00000187978,0.000001969038,0.00007394081],"genre_scores_gemma":[0.9791346,0.0002098057,0.01923846,0.001170664,0.0001846866,0.000001362589,6.66862e-7,0.00001357118,0.00004617804],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002080008,"threshold_uncertainty_score":0.2552157,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007451223345134434,"score_gpt":0.2148444012989247,"score_spread":0.2073931779537902,"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."}}