{"id":"W2034812213","doi":"10.1055/s-2009-1216398","title":"Known Natural Products with Unknown Bioactivity","year":2009,"lang":"en","type":"article","venue":"Planta Medica","topic":"Phytochemistry and Bioactive Compounds","field":"Materials Science","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"National Institute on Drug Abuse; Agricultural Research Service; University of British Columbia; University of Illinois at Urbana-Champaign; Chinese Academy of Sciences; Kurukshetra University; University of Illinois at Chicago; National Oceanic and Atmospheric Administration; U.S. Food and Drug Administration; National Science Foundation of Sri Lanka; University of Colombo; U.S. Department of Agriculture; Western Carolina University; International Science Council; National Center for Complementary and Alternative Medicine; China Academy of Traditional Chinese Medicine; National Institutes of Health; National Center for Research Resources; National Institute of Allergy and Infectious Diseases; Türkiye Bilimsel ve Teknolojik Araştırma Kurumu; Hong Kong Polytechnic University; National Science Foundation; Deutsche Krebshilfe; National Natural Science Foundation of China; Tata Trusts; University Grants Commission; Wake Forest University","keywords":"Pharmacophore; Virtual screening; Chemical space; In silico; Drug discovery; Computational biology; Secondary metabolite; Combinatorial chemistry; Identification (biology); Computer science; Chemistry; Biochemical engineering; Biology; Stereochemistry; Biochemistry; Engineering","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":[0.0007386087,0.0003541935,0.000585814,0.0003517279,0.0003082417,0.0005093087,0.0003843685,0.0007084818,0.01106826],"category_scores_gemma":[0.000427608,0.0001376938,0.0004417611,0.0002483361,0.0004373844,0.0003541396,0.0001728354,0.0006921389,0.0008652931],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002485306,"about_ca_system_score_gemma":0.0005040413,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000281754,"about_ca_topic_score_gemma":0.001398119,"domain_scores_codex":[0.9998753,0.00004465922,0.000008475182,0.00002308724,0.00002626014,0.00002224524],"domain_scores_gemma":[0.9998209,0.00007495684,0.00002460187,0.00001819167,0.00002261521,0.00003882581],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"design_other","study_design_gemma":"not_applicable","study_design_scores_codex":[0.09289991,0.02508104,0.005960051,0.01246123,0.0007607842,0.002702606,0.0005182831,0.0007164069,0.289523,0.005203141,0.005130983,0.5590425],"study_design_scores_gemma":[0.06994681,0.6027147,0.02571672,0.001390829,0.001710121,0.004123816,0.0006512959,0.001029521,0.151123,0.002357534,0.1391508,0.00008495107],"study_design_candidate":"not_applicable","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"review","genre_scores_codex":[0.9062768,0.07212412,0.003926557,0.001724405,0.0005218817,0.002471433,0.001266542,0.0001634144,0.0115248],"genre_scores_gemma":[0.9537832,0.026616,0.004174866,0.001157096,0.000238759,0.001091807,0.0008533022,0.00001613081,0.01206885],"genre_candidate":"review","genre_consensus":null,"teacher_disagreement_score":0.01106826,"threshold_uncertainty_score":0.037027,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01059782988468447,"score_gpt":0.2316081370416292,"score_spread":0.2210103071569447,"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."}}