{"id":"W4398247281","doi":"10.1021/acs.jnatprod.3c01071","title":"Metabolomic Analysis and Antiviral Screening of a Marine Algae Library Yield Jobosic Acid (2,5-Dimethyltetradecanoic Acid) as a Selective Inhibitor of SARS-CoV-2","year":2024,"lang":"en","type":"article","venue":"Journal of Natural Products","topic":"Metabolomics and Mass Spectrometry Studies","field":"Biochemistry, Genetics and Molecular Biology","cited_by":6,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"National Institute of General Medical Sciences; Puerto Rico Sea Grant College, University of Puerto Rico; Commonwealth of Pennsylvania; Philadelphia Foundation; National Institute on Minority Health and Health Disparities; Canadian Institutes of Health Research; University of Connecticut; American Society of Pharmacognosy","keywords":"Metabolomics; Algae; Yield (engineering); Biology; Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2); Pharmacognosy; Chemistry; Stereochemistry; Coronavirus disease 2019 (COVID-19); Botany; Biochemistry; Biological activity; Medicine; Bioinformatics; In vitro; Infectious disease (medical specialty)","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001228621,0.0006163823,0.0004278212,0.0006931042,0.0002933533,0.0002836442,0.0001576852,0.0002462298,0.001540113],"category_scores_gemma":[0.0001918827,0.0001371408,0.0004347244,0.0007117626,0.000175154,0.0002711663,0.0003587975,0.000341658,0.0004835704],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002650516,"about_ca_system_score_gemma":0.0005962239,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001445649,"about_ca_topic_score_gemma":0.002889293,"domain_scores_codex":[0.9998652,0.0000144258,0.00001163879,0.00002650935,0.00005633146,0.00002581402],"domain_scores_gemma":[0.9999007,0.00001659488,0.00001796354,0.00001029643,0.00003199756,0.00002242947],"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":[0.0001215886,0.0000302554,0.0005680208,0.00003580744,0.000006709603,0.00008887632,0.0000152204,0.0001235287,0.9965284,0.00002681239,0.00002434173,0.002430293],"study_design_scores_gemma":[0.00001698785,0.0006998161,0.01151471,0.00001338316,0.00005879283,0.0002556442,0.00008327134,0.0004935141,0.9844024,0.00005185323,0.002396659,0.00001281022],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9882228,0.001313772,0.003201244,0.0001060874,0.00001954731,0.0001243919,0.003953937,0.00008249148,0.002975708],"genre_scores_gemma":[0.9732792,0.002794746,0.008530342,0.0001282159,0.00001568758,0.0001231566,0.008693571,0.00005135016,0.006383787],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001540113,"threshold_uncertainty_score":0.005152225,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01310526256387689,"score_gpt":0.2624102578878683,"score_spread":0.2493049953239914,"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."}}