{"id":"W2967728882","doi":"10.1021/acs.analchem.9b02681","title":"Mass Spectrometry Based Approach for Organic Synthesis Monitoring","year":2019,"lang":"en","type":"article","venue":"Analytical Chemistry","topic":"Mass Spectrometry Techniques and Applications","field":"Chemistry","cited_by":19,"is_retracted":false,"has_abstract":true,"ca_institutions":"Simon Fraser University; University of Victoria; Vancouver Island University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Mass spectrometry; Electrospray ionization; Selected reaction monitoring; Analyte; Electron ionization; Semipermeable membrane; Membrane; Ionization; Direct electron ionization liquid chromatography–mass spectrometry interface; Chemical ionization; Analytical Chemistry (journal); Tandem mass spectrometry; Chromatography; Organic chemistry; Ion","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":[0.0009881345,0.001321579,0.0005363569,0.002270754,0.0005529304,0.001027031,0.001246862,0.001432621,0.009796061],"category_scores_gemma":[0.001176117,0.0003808714,0.0003849388,0.001149925,0.0005144086,0.001232639,0.0009741742,0.001415401,0.006160823],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008641775,"about_ca_system_score_gemma":0.0007956048,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005077771,"about_ca_topic_score_gemma":0.00100282,"domain_scores_codex":[0.9981827,0.0001664421,0.00006831608,0.0004431544,0.001060187,0.00007928804],"domain_scores_gemma":[0.9993917,0.000105302,0.00009891697,0.00007414646,0.0002955493,0.00003435835],"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":[0.0001196507,0.0000804654,0.0006671738,0.0003748988,0.00004734103,0.0001469488,0.00004076652,0.0002720049,0.9314073,0.003425481,0.004292814,0.05912513],"study_design_scores_gemma":[0.00002146518,0.000328542,0.001278199,0.00006540436,0.00004505782,0.000728634,0.00004228751,0.006461619,0.9048565,0.001322099,0.08479988,0.00005029699],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.05057412,0.02003616,0.8203038,0.002275864,0.002717696,0.001596775,0.006101598,0.01141287,0.08498111],"genre_scores_gemma":[0.3157872,0.01495523,0.596697,0.004231973,0.0007401623,0.001893947,0.003742838,0.0005202758,0.06143146],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.009796061,"threshold_uncertainty_score":0.03277105,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01442232107594949,"score_gpt":0.2552699060929618,"score_spread":0.2408475850170123,"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."}}