{"id":"W2113202675","doi":"10.1002/dta.257","title":"Spectral data analyses and structure elucidation of metoprolol tartrate","year":2011,"lang":"en","type":"article","venue":"Drug Testing and Analysis","topic":"Analytical Methods in Pharmaceuticals","field":"Chemistry","cited_by":5,"is_retracted":false,"has_abstract":true,"ca_institutions":"Ministry of Education and Child Care","funders":"","keywords":"Metoprolol Tartrate; Chemistry; Tartrate; Infrared spectroscopy; Spectral line; Spectroscopy; Mass spectrum; Ultraviolet; Infrared; Analytical Chemistry (journal); Mass spectrometry; Metoprolol; Materials science; Inorganic chemistry; Organic chemistry; Chromatography; Optics; Physics; Optoelectronics","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":[0.0001699892,0.0004311368,0.0003052383,0.0009760634,0.000352187,0.0001756288,0.000337425,0.0003398014,0.002069172],"category_scores_gemma":[0.0004675069,0.0001229871,0.0002744303,0.0007731929,0.0001998987,0.0003504448,0.0001892054,0.0004996448,0.0002884381],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001588924,"about_ca_system_score_gemma":0.0002884263,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007396396,"about_ca_topic_score_gemma":0.000801189,"domain_scores_codex":[0.9997444,0.00002836412,0.00001626208,0.0000476881,0.0001146217,0.00004872615],"domain_scores_gemma":[0.9997444,0.00005716811,0.00006094447,0.00002703961,0.00008381032,0.00002673843],"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":[0.0002659617,0.00005439282,0.0008300408,0.0001219737,0.00001159989,0.0002372039,0.0000875363,0.0002992701,0.9800117,0.0002754898,0.0001428819,0.01766201],"study_design_scores_gemma":[0.00001738019,0.0004634339,0.01418823,0.00001907412,0.0000563986,0.0009395188,0.0001252714,0.003087973,0.9759074,0.000309009,0.004861088,0.0000252337],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9486648,0.004881599,0.03730175,0.0003421968,0.00007207583,0.0001375384,0.002612965,0.0002702105,0.00571694],"genre_scores_gemma":[0.9744542,0.002294291,0.0184321,0.0002537245,0.00004377063,0.0000762722,0.002337866,0.00004849483,0.002059235],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002069172,"threshold_uncertainty_score":0.006922066,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.2496275333984618,"score_gpt":0.419934865746828,"score_spread":0.1703073323483662,"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."}}