{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001691758,0.0001510053,0.0002396445,0.00005556776,0.000009908913,0.00001023289,0.0001174467,0.0001021293,0.00001379231],"category_scores_gemma":[0.0000724186,0.0001376159,0.00009253008,0.0001381457,0.0001031875,0.000005804093,0.00006397879,0.0001551081,2.557949e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002536484,"about_ca_system_score_gemma":0.000126563,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002267732,"about_ca_topic_score_gemma":0.000005266245,"domain_scores_codex":[0.9988354,0.0000422671,0.0004381445,0.0003075977,0.0002154175,0.0001611195],"domain_scores_gemma":[0.9995385,0.00004021972,0.00008485906,0.0002421974,0.00004295017,0.00005129954],"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":[0.0001153095,0.0003812251,0.1472093,0.0009625956,0.00003680888,0.00001393153,0.0003630399,0.001112991,0.8143737,0.00005733397,0.00008629997,0.03528745],"study_design_scores_gemma":[0.0008656069,0.00008665738,0.02909298,0.0003794132,0.00001085054,9.277392e-7,0.0000389492,0.001537879,0.9636452,0.001002286,0.003160222,0.0001789935],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9596813,0.03745777,0.001536712,0.00003337061,0.001070358,0.0001190943,0.00003335003,0.000005003919,0.0000629955],"genre_scores_gemma":[0.9947668,0.003817615,0.0001867866,0.000003650114,0.0009990324,0.000009476817,0.0001621195,0.00001346061,0.00004108199],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1492715,"threshold_uncertainty_score":0.5611815,"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."}}