{"id":"W2025630950","doi":"10.1002/psc.637","title":"Examination of structural characteristics of the potent oxytocin antagonists [dPen1,Pen6]-OT and [dPen1,Pen6, 5-tBuPro7]-OT by NMR, raman, CD spectroscopy and molecular modeling","year":2005,"lang":"en","type":"article","venue":"Journal of Peptide Science","topic":"Neuroendocrine regulation and behavior","field":"Psychology","cited_by":7,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Montréal","funders":"","keywords":"Chemistry; Conformational isomerism; Raman spectroscopy; Amide; Dihedral angle; Stereochemistry; Acetonitrile; Proton NMR; Solvent; Isomerization; NMR spectra database; Oxytocin; Crystallography; Molecule; Hydrogen bond; Spectral line; 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":[0.0001076057,0.0003237709,0.0004129345,0.0001198597,0.0001000647,0.0002000476,0.0003910844,0.0003846478,0.001036007],"category_scores_gemma":[0.0003287945,0.0001665662,0.0001292742,0.000151815,0.0001407704,0.0002510623,0.0001031397,0.0004645404,0.000302758],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002249631,"about_ca_system_score_gemma":0.0001381064,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005972167,"about_ca_topic_score_gemma":0.0005665657,"domain_scores_codex":[0.9998878,0.00001536425,0.000006157918,0.00002099049,0.00004825656,0.00002128548],"domain_scores_gemma":[0.9998748,0.00003043513,0.00004908161,0.000005517439,0.0000159302,0.00002411914],"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":[0.0002196867,0.00005558077,0.0003437558,0.00006212292,0.00001780723,0.0001042566,0.00001324514,0.003722152,0.9918378,0.0001850282,0.0001251541,0.003313411],"study_design_scores_gemma":[0.0001366749,0.002691798,0.009246855,0.00001268135,0.00009180308,0.0008342086,0.00006457171,0.05233352,0.9260239,0.0002526096,0.00825791,0.00005341825],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9905565,0.003687317,0.003284529,0.00009828664,0.00002019464,0.000036923,0.0005243412,0.00003696292,0.001754936],"genre_scores_gemma":[0.9893543,0.003081682,0.004442313,0.0001135925,0.00002403323,0.00005214429,0.001412809,0.00001685141,0.001502267],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001036007,"threshold_uncertainty_score":0.003465831,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01329722443236554,"score_gpt":0.3050978520810524,"score_spread":0.2918006276486869,"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."}}