{"id":"W2069758239","doi":"10.1140/epjd/e2002-00148-5","title":"N-acetyl-L-aspartic acid-N'-methylamide with side-chain orientation capable of external hydrogen bonding","year":2002,"lang":"en","type":"article","venue":"The European Physical Journal D","topic":"Molecular Spectroscopy and Structure","field":"Chemistry","cited_by":5,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Toronto","funders":"","keywords":"Conformational isomerism; Side chain; Hydrogen bond; Chemistry; Backbone chain; Stereochemistry; Chain (unit); Crystallography; Molecule; Polymer; Organic chemistry","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002592054,0.0004665377,0.0002942847,0.000110593,0.0001373933,0.0002114722,0.0005585233,0.0002737384,0.001533465],"category_scores_gemma":[0.0002823766,0.000114897,0.0001553616,0.0001427825,0.0001937582,0.0002542158,0.0002245829,0.0004008453,0.0008606181],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000210576,"about_ca_system_score_gemma":0.0003554459,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005974501,"about_ca_topic_score_gemma":0.0006151022,"domain_scores_codex":[0.9998699,0.00002427432,0.00001270571,0.00002874488,0.00002185348,0.00004245918],"domain_scores_gemma":[0.9997873,0.00002884273,0.00005120994,0.00003477389,0.00002318872,0.000074674],"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":[0.0009925027,0.00009448361,0.0003040582,0.0001142925,0.00002356063,0.0003355861,0.00001732979,0.0001696372,0.9911909,0.0003814473,0.0001800116,0.00619628],"study_design_scores_gemma":[0.0001959115,0.00189475,0.001639935,0.00001417699,0.00004374955,0.0007866608,0.00001943203,0.0003915819,0.9849756,0.00006050326,0.009962563,0.00001514253],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9822177,0.002060688,0.005060784,0.0001538534,0.0001813002,0.0001411488,0.0003466035,0.0001028176,0.009735066],"genre_scores_gemma":[0.9893618,0.000952427,0.005340666,0.0001217924,0.00003645849,0.00004742525,0.0004615988,0.0000177284,0.003660108],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001533465,"threshold_uncertainty_score":0.005129993,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00905812246058676,"score_gpt":0.2240392914211227,"score_spread":0.2149811689605359,"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."}}