{"id":"W2884702491","doi":"10.5599/admet.520","title":"Peptide retention time prediction for immobilized artificial membrane phosphatidylcholine stationary phase: method development and preliminary observations","year":2018,"lang":"en","type":"article","venue":"ADMET & DMPK","topic":"Mass Spectrometry Techniques and Applications","field":"Chemistry","cited_by":5,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Manitoba","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Phosphatidylcholine; Peptide; Chromatography; Acetonitrile; Membrane; Phospholipid; Biochemistry","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":[0.001640734,0.001236938,0.0006498917,0.0003649625,0.0002597898,0.0008586539,0.0009167551,0.0009130043,0.000529314],"category_scores_gemma":[0.001742022,0.0003216367,0.0008485577,0.0003506893,0.0002947502,0.0005150828,0.0003731366,0.0012831,0.0007746948],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008379012,"about_ca_system_score_gemma":0.001234422,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002961349,"about_ca_topic_score_gemma":0.001467665,"domain_scores_codex":[0.9994336,0.0001096774,0.00003418283,0.0001728031,0.00020299,0.00004665418],"domain_scores_gemma":[0.9994701,0.0002024999,0.00005918467,0.0000476055,0.0001918419,0.00002886183],"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":[0.0006554705,0.0001296238,0.003774844,0.0003721603,0.0001047379,0.0003247145,0.00006360813,0.04000339,0.9130234,0.0008875487,0.0004621629,0.04019834],"study_design_scores_gemma":[0.00002698447,0.0003467735,0.001754764,0.0000185259,0.00004881002,0.0002558181,0.00002200439,0.5095665,0.4845742,0.000526904,0.00280801,0.00005064203],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"methods","genre_gemma":"methods","genre_scores_codex":[0.1910712,0.001811635,0.8031544,0.0002511297,0.00006128587,0.0002928714,0.0009734422,0.001636629,0.0007474432],"genre_scores_gemma":[0.5325134,0.003099536,0.4586237,0.0001595656,0.00003765538,0.0008395886,0.002137394,0.0003833515,0.002205777],"genre_candidate":"methods","genre_consensus":"methods","teacher_disagreement_score":0.002961349,"threshold_uncertainty_score":0.008677125,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04168830147826402,"score_gpt":0.3261734989244096,"score_spread":0.2844851974461455,"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."}}