{"id":"W2122723562","doi":"10.1021/pr300235v","title":"MS-Simulator: Predicting <i>Y</i>-Ion Intensities for Peptides with Two Charges Based on the Intensity Ratio of Neighboring Ions","year":2012,"lang":"en","type":"article","venue":"Journal of Proteome Research","topic":"Mass Spectrometry Techniques and Applications","field":"Chemistry","cited_by":30,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Waterloo","funders":"","keywords":"Ion; Tandem mass spectrometry; Mass spectrometry; Computation; Peptide; Identification (biology); Chemistry; Tandem; Biological system; Computer science; Algorithm; Chromatography; Materials science; Biology","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":[0.0005540665,0.001059213,0.0004804552,0.0006049512,0.0003048797,0.0005859089,0.001580403,0.0008783789,0.002612291],"category_scores_gemma":[0.001840238,0.000378646,0.0005362268,0.0003773903,0.0003020361,0.001140691,0.0005686637,0.0006669006,0.0007553498],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004882893,"about_ca_system_score_gemma":0.0008764121,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001894138,"about_ca_topic_score_gemma":0.002013471,"domain_scores_codex":[0.9998316,0.00002460378,0.00001320472,0.00004273916,0.00007266107,0.0000151378],"domain_scores_gemma":[0.9994369,0.0002934098,0.00008217834,0.00005404633,0.00009654418,0.00003690127],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.002423269,0.0004741147,0.02730095,0.0006519507,0.0003823425,0.001006193,0.0003442022,0.5635574,0.2063433,0.009758285,0.01330421,0.1744538],"study_design_scores_gemma":[0.00002802847,0.00004509453,0.0005232283,0.000005135878,0.00001216523,0.000105729,0.00001194935,0.9692098,0.0271378,0.001284392,0.001619551,0.00001699348],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"methods","genre_gemma":"methods","genre_scores_codex":[0.1278116,0.000306713,0.8269042,0.0001871261,0.0001058044,0.0001338179,0.001685165,0.0409586,0.001907042],"genre_scores_gemma":[0.5730043,0.0004601696,0.4181365,0.0001761187,0.00004945336,0.0002314437,0.003216056,0.001806732,0.002919174],"genre_candidate":"methods","genre_consensus":"methods","teacher_disagreement_score":0.002612291,"threshold_uncertainty_score":0.008738995,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.08261714867255104,"score_gpt":0.3664907465183981,"score_spread":0.283873597845847,"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."}}