{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004075956,0.0002317715,0.0007220265,0.0006503187,0.00004203333,0.00003955213,0.0002024258,0.0001163986,0.000005851996],"category_scores_gemma":[0.0005299433,0.0001757341,0.0003342084,0.001345835,0.0001383273,0.00005415944,0.0002509698,0.0003845314,4.374501e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000009065406,"about_ca_system_score_gemma":0.0001511806,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002668885,"about_ca_topic_score_gemma":0.00001255493,"domain_scores_codex":[0.9984615,0.00009336293,0.0005985781,0.0003608624,0.0002587038,0.0002269367],"domain_scores_gemma":[0.9990118,0.0000436237,0.0004448041,0.0002083034,0.0002516024,0.00003983397],"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":[0.0004211608,0.00005403099,0.002047997,0.0001151021,0.003409983,0.00001724491,0.00007772545,0.000001537869,0.9874219,0.0001024791,0.001145872,0.005185019],"study_design_scores_gemma":[0.0003427554,0.0006203175,0.01337108,0.00005385372,0.0009869899,0.00007644812,0.0000454884,0.00003490232,0.9830068,0.0002223319,0.00106973,0.0001692841],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9317307,0.06680364,0.0001250537,0.0006502493,0.0003655964,0.0001199576,0.0000226209,0.000006978141,0.0001751222],"genre_scores_gemma":[0.9894772,0.00278754,0.00700529,0.00006997391,0.0004558077,0.00000141299,0.00001453443,0.00002417165,0.0001640959],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0640161,"threshold_uncertainty_score":0.7166227,"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."}}