{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002002808,0.0001492147,0.0001723348,0.00002470083,0.0001165145,0.00004181394,0.0002642815,0.00005267624,0.000128386],"category_scores_gemma":[0.00009444477,0.0000972026,0.00001913244,0.0001577519,0.0001607204,0.0001897812,0.00003000458,0.0001839707,0.00007717127],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003585852,"about_ca_system_score_gemma":0.0001153997,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0000105402,"about_ca_topic_score_gemma":0.000006579349,"domain_scores_codex":[0.9988604,0.0000355148,0.0001114372,0.0003556558,0.0003369215,0.000300059],"domain_scores_gemma":[0.9994524,0.000054628,0.00007220388,0.0002614928,0.00005675643,0.0001025165],"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":[0.0001961433,0.0001286413,0.0000842317,0.00001736984,0.000006642972,0.00004755139,0.00006182145,1.6903e-7,0.9924663,0.00009712879,0.003728167,0.00316585],"study_design_scores_gemma":[0.0003235375,0.0001413454,0.004347593,0.00005670043,0.0000148453,0.0001791531,0.00001567261,0.00002075152,0.9748728,0.0001129458,0.01973224,0.0001823727],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9836423,0.0001839245,0.0000472423,0.002466431,0.000384922,0.000118538,0.00002373074,0.000134457,0.01299848],"genre_scores_gemma":[0.9981596,0.00001325698,0.000513525,0.0002718533,0.0004260839,0.000005011228,0.00003146749,0.000004755877,0.0005744746],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01759344,"threshold_uncertainty_score":0.3963807,"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."}}