{"id":"W2896869443","doi":"10.1002/rcm.8306","title":"Diagnostic fragmentation filtering for the discovery of new chaetoglobosins and cytochalasins","year":2018,"lang":"en","type":"article","venue":"Rapid Communications in Mass Spectrometry","topic":"Microbial Natural Products and Biosynthesis","field":"Medicine","cited_by":25,"is_retracted":false,"has_abstract":true,"ca_institutions":"McMaster University; Health PEI; Agriculture and Agri-Food Canada; Western University","funders":"Agriculture and Agri-Food Canada","keywords":"Chemistry; Fragmentation (computing)","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":[0.001006566,0.0007559173,0.0004824853,0.001572389,0.000332034,0.0007705865,0.0005649021,0.0006118075,0.001297586],"category_scores_gemma":[0.00163603,0.0002888156,0.0006850995,0.0006809625,0.0003178935,0.0006906517,0.00066559,0.0005901789,0.0005331427],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006069098,"about_ca_system_score_gemma":0.0006815246,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0009278083,"about_ca_topic_score_gemma":0.001400172,"domain_scores_codex":[0.9996322,0.00003296034,0.00003044179,0.0001394169,0.0001245938,0.00004035891],"domain_scores_gemma":[0.9994758,0.0001729352,0.0001264883,0.00004690652,0.000115849,0.00006203252],"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":[0.000474188,0.0000612265,0.005603295,0.0002271627,0.0000702351,0.000183388,0.00006264546,0.0006374681,0.9422261,0.0003486115,0.0004695104,0.04963611],"study_design_scores_gemma":[0.00008670489,0.0003721351,0.02111112,0.00004882465,0.000101957,0.00149583,0.00007483772,0.0226007,0.9428439,0.0007563643,0.01045195,0.00005574498],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7919254,0.004400453,0.1866139,0.0005938924,0.00005761818,0.0005933449,0.008568622,0.004227115,0.003019714],"genre_scores_gemma":[0.6645154,0.001690486,0.3212519,0.0005353698,0.00004417403,0.0004288574,0.009652578,0.000305478,0.001575733],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001572389,"threshold_uncertainty_score":0.00532335,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03557943838952514,"score_gpt":0.3120754719013457,"score_spread":0.2764960335118205,"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."}}