{"id":"W3107629351","doi":"10.1038/s41467-020-19986-1","title":"Comprehensive prediction of secondary metabolite structure and biological activity from microbial genome sequences","year":2020,"lang":"en","type":"article","venue":"Nature Communications","topic":"Microbial Natural Products and Biosynthesis","field":"Medicine","cited_by":382,"is_retracted":false,"has_abstract":true,"ca_institutions":"McMaster University; Hamilton Health Sciences; Canada's Michael Smith Genome Sciences Centre; Michael Smith Health Research BC","funders":"Canadian Institutes of Health Research; Canada Research Chairs; Joint Programming Initiative on Antimicrobial Resistance","keywords":"Metagenomics; Computational biology; Genome; Prism; Biology; Secondary metabolite; Antibiotics; Antibiotic resistance; Genomics; Genetics; Gene","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":[0.001229114,0.001388207,0.001139456,0.003106767,0.0004506235,0.001090873,0.0006474701,0.0009664366,0.002039136],"category_scores_gemma":[0.003028604,0.0006042905,0.00182662,0.003086957,0.000327288,0.001112042,0.0008926803,0.001061183,0.002145998],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006791305,"about_ca_system_score_gemma":0.001663353,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001967287,"about_ca_topic_score_gemma":0.003778998,"domain_scores_codex":[0.9993362,0.0001245882,0.00006085803,0.0002402189,0.0001873503,0.00005068321],"domain_scores_gemma":[0.998793,0.0004886129,0.0002244035,0.0001494688,0.0002245694,0.0001198522],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.002766435,0.0006031958,0.1219148,0.007156344,0.001309578,0.001967595,0.0003351913,0.1381316,0.521966,0.003218764,0.03512331,0.1655073],"study_design_scores_gemma":[0.0004183116,0.001610175,0.1770163,0.0005095614,0.001474518,0.001837931,0.0004113748,0.5588281,0.1489423,0.01240656,0.09625832,0.0002864766],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.5227885,0.0112948,0.1074603,0.0008447997,0.0001391066,0.000297319,0.3358259,0.01572244,0.00562704],"genre_scores_gemma":[0.4043043,0.003613124,0.1727564,0.0002057688,0.00005266574,0.000173161,0.4172932,0.000672782,0.0009286919],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003106767,"threshold_uncertainty_score":0.006821573,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04359839612373137,"score_gpt":0.2762836905992667,"score_spread":0.2326852944755353,"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."}}