{"id":"W4404122346","doi":"10.2174/0115680266337668241025061804","title":"Computer-aided Drug Discovery of Epigenetic Modulators in Dual-target Therapy of Multifactorial Diseases","year":2024,"lang":"en","type":"article","venue":"Current Topics in Medicinal Chemistry","topic":"Epigenetics and DNA Methylation","field":"Biochemistry, Genetics and Molecular Biology","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Faculté de pharmacie, Université de Montréal; European Cooperation in Science and Technology; Univerzitet u Beogradu","keywords":"Epigenetics; Vorinostat; Neurodegeneration; Drug discovery; Histone deacetylase; Biology; microRNA; Epigenetic therapy; Bioinformatics; Computational biology; Cancer research; Histone; DNA methylation; Neuroscience; Medicine; Genetics; Gene expression; Gene; Disease","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":[0.0004978255,0.0006895294,0.001047471,0.0004576075,0.0001601602,0.0005868988,0.0004468226,0.0004412012,0.001969306],"category_scores_gemma":[0.0004304143,0.0002940844,0.0007119373,0.0005411354,0.0002299408,0.0003619396,0.0005247536,0.000589995,0.0004499532],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005311681,"about_ca_system_score_gemma":0.0006740318,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0009560543,"about_ca_topic_score_gemma":0.001989562,"domain_scores_codex":[0.9998282,0.00005659031,0.000009625009,0.00002745442,0.00006179343,0.00001628328],"domain_scores_gemma":[0.9999151,0.00004683218,0.00001656762,0.000004907341,0.00001128411,0.000005283762],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0004274919,0.0002467152,0.001323652,0.002830432,0.0003799517,0.0004389593,0.00007450861,0.5222377,0.1277023,0.03242669,0.005365787,0.3065459],"study_design_scores_gemma":[0.0002464963,0.0007356366,0.0007510229,0.00009824205,0.0001800384,0.0003362255,0.00003162867,0.8888858,0.05438197,0.01015701,0.04413281,0.00006308796],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.1174972,0.06804568,0.7878489,0.001736506,0.0002517094,0.0005446621,0.001572387,0.002652303,0.01985063],"genre_scores_gemma":[0.4981275,0.04254603,0.4484968,0.0005076051,0.00008541242,0.0008323782,0.00166795,0.000135485,0.007600912],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.001969306,"threshold_uncertainty_score":0.006587982,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01406577706343599,"score_gpt":0.2946595268184561,"score_spread":0.2805937497550202,"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."}}