{"id":"W4288070300","doi":"10.1016/j.bcp.2022.115191","title":"Compilation and evaluation of a fatty acid mimetics screening library","year":2022,"lang":"en","type":"article","venue":"Biochemical Pharmacology","topic":"Eicosanoids and Hypertension Pharmacology","field":"Biochemistry, Genetics and Molecular Biology","cited_by":5,"is_retracted":false,"has_abstract":false,"ca_institutions":"","funders":"Horizon 2020 Framework Programme; Genentech; Innovative Medicines Initiative; Ontario Institute for Cancer Research; Kungliga Tekniska Högskolan; Ontario Genomics Institute; Takeda Pharmaceutical Company; European Federation of Pharmaceutical Industries and Associations; Janssen Pharmaceuticals; Merck KGaA; Genome Canada; Boehringer Ingelheim; Deutsche Forschungsgemeinschaft; Bristol-Myers Squibb; European Commission; Pfizer","keywords":"Biochemistry; Free fatty acid receptor 1; G protein-coupled receptor; Epoxide hydrolase 2; Chemistry; Free fatty acid receptor; Fatty acid-binding protein; Drug discovery; Fatty acid; Receptor; Chemical library; Peroxisome; Polyunsaturated fatty acid; Enzyme; Small molecule; Agonist","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":[0.0007227032,0.001879203,0.002452776,0.00441161,0.001183239,0.001490208,0.001211574,0.0005281171,0.0139325],"category_scores_gemma":[0.001606296,0.0006191747,0.00140406,0.004152665,0.0003220113,0.0007295589,0.001234569,0.0009331617,0.00900596],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005355554,"about_ca_system_score_gemma":0.00276501,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00260121,"about_ca_topic_score_gemma":0.003565074,"domain_scores_codex":[0.9992617,0.00009266563,0.00007931661,0.0001266202,0.0003272976,0.0001123475],"domain_scores_gemma":[0.9991509,0.000183031,0.00007600688,0.0001101118,0.0003520504,0.0001278713],"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":[0.002109514,0.0009634639,0.002390987,0.002962873,0.0003305853,0.002200231,0.0002772163,0.004268519,0.7185799,0.001539355,0.02750413,0.2368732],"study_design_scores_gemma":[0.0005672343,0.00297954,0.01099215,0.0003158443,0.001740532,0.003335858,0.0003399411,0.008656535,0.6893831,0.001320871,0.2800949,0.000273556],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.4361643,0.01943993,0.1683795,0.001930774,0.0009315873,0.007137311,0.2668159,0.0381857,0.06101509],"genre_scores_gemma":[0.2445494,0.01571303,0.169382,0.0009538991,0.0002771391,0.002718766,0.5086412,0.002498314,0.05526621],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0139325,"threshold_uncertainty_score":0.04660887,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03369893733032492,"score_gpt":0.3148910844016854,"score_spread":0.2811921470713605,"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."}}