{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000225128,0.0001762382,0.0002128673,0.00002774343,0.0002135727,0.00006978027,0.0003488152,0.0000209435,0.0001907911],"category_scores_gemma":[0.00003648126,0.0001090112,0.0001310076,0.0001437603,0.0001185833,0.0001182109,0.00005285929,0.0005186772,0.00004801064],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003908058,"about_ca_system_score_gemma":0.00001033001,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000004447586,"about_ca_topic_score_gemma":7.793142e-7,"domain_scores_codex":[0.998686,0.0001984676,0.0002522598,0.0001733798,0.0003995217,0.0002904063],"domain_scores_gemma":[0.999222,0.00004442507,0.0002631742,0.0002976274,0.00004924949,0.0001234581],"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":[0.00004783327,0.00006305017,0.0001128007,0.00001921114,0.00005408035,0.0001563733,0.00131503,0.0005744713,0.993024,0.0008627725,0.0001572575,0.003613156],"study_design_scores_gemma":[0.0007032208,0.0001567213,0.0002287434,0.0001100042,0.0001004385,0.000439477,0.0002114088,0.001107864,0.9922327,0.004179702,0.0003489495,0.0001807685],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.944324,0.0002649304,0.001121284,0.0001247781,0.0000394564,0.00003652634,0.000003585099,0.00002621592,0.05405927],"genre_scores_gemma":[0.9976137,0.00002011623,0.0003437673,0.00005021786,0.0008323295,0.000001094098,0.000001367478,0.000042013,0.001095365],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.05328977,"threshold_uncertainty_score":0.4445346,"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."}}