{"id":"W2965687318","doi":"10.1002/rcm.8540","title":"Tandem mass spectrometric analysis of novel caffeine scaffold‐based bifunctional compounds for Parkinson's disease","year":2019,"lang":"en","type":"article","venue":"Rapid Communications in Mass Spectrometry","topic":"Mass Spectrometry Techniques and Applications","field":"Chemistry","cited_by":8,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Saskatchewan","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Bifunctional; Tandem mass spectrometry; Triple quadrupole mass spectrometer; Mass spectrometry; Selected reaction monitoring; Collision-induced dissociation; Fragmentation (computing); Ion trap; Quadrupole ion trap; Chromatography; Analytical Chemistry (journal); Organic chemistry","routes":{"ca_aff":true,"ca_fund":true,"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":[0.0001829361,0.0004706462,0.000223159,0.0005602503,0.0001938476,0.000181797,0.0002260474,0.0005617948,0.001052424],"category_scores_gemma":[0.0002448504,0.0001094224,0.0002092201,0.0002352592,0.000158305,0.0002266035,0.0001412259,0.0002752468,0.0002413243],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002591148,"about_ca_system_score_gemma":0.0001866727,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006403073,"about_ca_topic_score_gemma":0.001193333,"domain_scores_codex":[0.9998884,0.0000137748,0.000007799687,0.00002776221,0.00004773479,0.00001456708],"domain_scores_gemma":[0.9998851,0.00001685741,0.00004397608,0.000005702703,0.00003193113,0.00001642642],"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":[0.00009367427,0.00001019237,0.0001743301,0.00003447014,0.00000667524,0.00003935788,0.000007115826,0.00005680185,0.9976247,0.00003079,0.00002472984,0.001897089],"study_design_scores_gemma":[0.0000115838,0.0005482975,0.004574981,0.00001139339,0.00003618595,0.0004096561,0.00002768135,0.001754417,0.9912565,0.00004551365,0.001310802,0.00001307894],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9792652,0.004305331,0.01270552,0.00010879,0.00003729305,0.0001291621,0.001358572,0.000228805,0.001861417],"genre_scores_gemma":[0.9689769,0.001969741,0.0251589,0.0001773469,0.00001501928,0.0001437882,0.001098626,0.00002582754,0.002433975],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001052424,"threshold_uncertainty_score":0.003520668,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02796690989064132,"score_gpt":0.2917037206052085,"score_spread":0.2637368107145672,"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."}}