{"id":"W1770665582","doi":"10.1002/pca.1354","title":"The Use of Coupled HSQC Spectra to Aid in Stereochemical Assignments of Molecules with Severe Proton Spectral Overlap","year":2011,"lang":"en","type":"article","venue":"Phytochemical Analysis","topic":"Phytochemistry and Biological Activities","field":"Agricultural and Biological Sciences","cited_by":6,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"","keywords":"Chemistry; Heteronuclear single quantum coherence spectroscopy; Pyranose; Spectral line; Heteronuclear molecule; Analytical Chemistry (journal); Proton; Spectral resolution; Resolution (logic); Nuclear magnetic resonance; Two-dimensional nuclear magnetic resonance spectroscopy; Nuclear magnetic resonance spectroscopy; Stereochemistry; Chromatography","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":[0.0006361882,0.0007571847,0.0002584415,0.0006171113,0.0003059285,0.000373597,0.0003731747,0.0004395575,0.003389745],"category_scores_gemma":[0.0006748411,0.0002991057,0.000274734,0.0006509127,0.0004409531,0.0005686743,0.0004664806,0.0009548245,0.0007363172],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002013592,"about_ca_system_score_gemma":0.0003718802,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002880877,"about_ca_topic_score_gemma":0.0006236914,"domain_scores_codex":[0.9997135,0.00004917259,0.00001367024,0.0000813892,0.0001162663,0.00002596339],"domain_scores_gemma":[0.9993598,0.0001152457,0.0001286953,0.0001035111,0.0002379291,0.00005494505],"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":[0.00003265229,0.00001337138,0.0002106248,0.00008421688,0.00001302356,0.00003767238,0.00001917303,0.00009650946,0.9931961,0.0002824076,0.00007536355,0.005938919],"study_design_scores_gemma":[0.00001668013,0.000268146,0.002802674,0.00002096812,0.00003191249,0.0004415597,0.00002551556,0.004405032,0.9869926,0.0005033863,0.004471503,0.00002001998],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"methods","genre_scores_codex":[0.547238,0.002093238,0.4421666,0.0002806503,0.0001803757,0.0001769455,0.0009325624,0.001052552,0.005879054],"genre_scores_gemma":[0.6938153,0.00219939,0.2991505,0.0002692833,0.00006920256,0.0002070212,0.001354596,0.0001953521,0.002739228],"genre_candidate":"methods","genre_consensus":null,"teacher_disagreement_score":0.003389745,"threshold_uncertainty_score":0.01133984,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04314190824837816,"score_gpt":0.220249661726086,"score_spread":0.1771077534777078,"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."}}