{"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":"codex-gemma-dda1882f352a","candidate_categories":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0003869097,0.0001832866,0.0002076478,0.00009443279,0.0003819067,0.00005222557,0.0001289592,0.0001276187,0.001996721],"category_scores_gemma":[0.0001223203,0.0001918523,0.00006700162,0.0002731782,0.00007004058,0.0001979816,0.00005231993,0.0001083523,0.00002071714],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00008860667,"about_ca_system_score_gemma":0.00008106848,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001316136,"about_ca_topic_score_gemma":0.000004631266,"domain_scores_codex":[0.9985874,0.00002272104,0.000507816,0.0004408202,0.0002018365,0.0002393868],"domain_scores_gemma":[0.9989608,0.0001990337,0.0001991908,0.0003085703,0.0002370162,0.00009538457],"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":[0.0005093156,0.0006732905,0.0001380544,0.0001665915,0.0001183122,0.000001003605,0.000376432,0.0000101537,0.9252327,0.01236564,0.006627393,0.05378111],"study_design_scores_gemma":[0.001297766,0.0003540965,0.0008436509,0.00006004333,0.0001383651,0.00001402472,0.0001074463,0.0268569,0.8300201,0.007385615,0.1326318,0.0002901507],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"methods","genre_scores_codex":[0.6176232,0.0002556994,0.3705644,0.001464597,0.0001247207,0.001575542,0.0009649517,0.0008823354,0.006544597],"genre_scores_gemma":[0.2897701,0.00004966579,0.6967644,0.0001325763,0.000461643,0.001622027,0.003604424,0.00006003628,0.00753507],"genre_candidate":"methods","genre_consensus":null,"teacher_disagreement_score":0.327853,"threshold_uncertainty_score":0.9989156,"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."}}