{"id":"W3188284870","doi":"10.1016/j.jpha.2021.08.001","title":"Time-course monitoring of in vitro biotransformation reaction via solid-phase microextraction-ambient mass spectrometry approaches","year":2021,"lang":"en","type":"article","venue":"Journal of Pharmaceutical Analysis","topic":"Mass Spectrometry Techniques and Applications","field":"Chemistry","cited_by":7,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Waterloo","funders":"","keywords":"Chemistry; Chromatography; Biotransformation; Mass spectrometry; Sample preparation; Solid phase extraction; Analyte; Protein precipitation; Extraction (chemistry); Solid-phase microextraction; Desorption electrospray ionization; Gas chromatography–mass spectrometry; Chemical ionization; Organic chemistry; Ionization","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":[0.0004645169,0.0005839911,0.0003108454,0.0002207181,0.0001510647,0.0002441562,0.0003143801,0.000408913,0.0006205846],"category_scores_gemma":[0.0004894417,0.000213762,0.00033078,0.0002959588,0.0002138039,0.0003061932,0.0002276992,0.0006232009,0.0003846573],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003031745,"about_ca_system_score_gemma":0.0003246329,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000443394,"about_ca_topic_score_gemma":0.0008553597,"domain_scores_codex":[0.9995722,0.00005837373,0.00003274732,0.0001005924,0.0002034818,0.00003254998],"domain_scores_gemma":[0.9997131,0.00008770859,0.00006814303,0.00002763263,0.00008662552,0.00001670373],"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":[0.00006027039,0.00001511205,0.00009390954,0.00002738123,0.000005147867,0.00001391928,0.000009442335,0.00006021351,0.9982225,0.00003203517,0.00002084196,0.001439187],"study_design_scores_gemma":[0.0000025135,0.0001078721,0.0003690478,7.645254e-7,0.000004940463,0.00002538859,0.000004029248,0.0007352759,0.9983559,0.00001265533,0.0003782123,0.000003294544],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8223933,0.004429065,0.1678579,0.0001824917,0.0001676792,0.0003885583,0.001179918,0.0009016675,0.002499403],"genre_scores_gemma":[0.8769549,0.004262862,0.112167,0.0001247153,0.0000432075,0.0006111067,0.001037914,0.00007328426,0.004725191],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0006205846,"threshold_uncertainty_score":0.002456605,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03731342464246522,"score_gpt":0.3693365077234493,"score_spread":0.332023083080984,"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."}}