{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004180548,0.000140789,0.0003867974,0.0001365714,0.00007095379,0.00002609317,0.000216872,0.00005679455,0.0005507628],"category_scores_gemma":[0.001368004,0.0001153847,0.00005624417,0.0006970675,0.0001747435,0.0001186796,0.0001681784,0.0001641254,5.840029e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000006188994,"about_ca_system_score_gemma":0.00001354269,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002530759,"about_ca_topic_score_gemma":0.00001873276,"domain_scores_codex":[0.9988627,0.00006540813,0.0003288132,0.0004153926,0.0001541247,0.0001735146],"domain_scores_gemma":[0.9986219,0.0005224539,0.00017326,0.0004928264,0.00007549731,0.0001140869],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"observational","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.00004011249,0.00009459142,0.6004981,0.0002750909,0.003568849,0.00001920382,0.0005468698,0.0001337673,0.3537311,0.0004089968,0.00004913033,0.04063422],"study_design_scores_gemma":[0.0003889612,0.00001959581,0.03150192,0.00004973821,0.01454615,0.00001439292,0.0004565712,0.4758592,0.4655727,0.01111242,0.00004386931,0.0004345576],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9900574,0.0004314809,0.004782772,0.00004121745,0.000008493998,0.00002428262,0.0001437775,0.00005122548,0.004459348],"genre_scores_gemma":[0.8687448,0.00002531105,0.1310294,0.00002185689,0.00003849862,6.694216e-7,0.00004742328,0.000007737779,0.00008429814],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.5689961,"threshold_uncertainty_score":0.6030467,"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."}}