{"id":"W2055237164","doi":"10.1021/jm101092u","title":"Non-Natural Macrocyclic Inhibitors of Histone Deacetylases: Design, Synthesis, and Activity","year":2010,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Histone Deacetylase Inhibitors Research","field":"Biochemistry, Genetics and Molecular Biology","cited_by":63,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Montréal","funders":"","keywords":"Chemistry; Pharmacophore; Tetrapeptide; Vorinostat; Histone deacetylase; Stereochemistry; Histone; Depsipeptide; HDAC6; Isozyme; Structure–activity relationship; Combinatorial chemistry; Biochemistry; Enzyme; Peptide; DNA; In vitro","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002003534,0.0003887908,0.0003562373,0.0001754419,0.00009121202,0.0002254138,0.0003742319,0.000169136,0.001183981],"category_scores_gemma":[0.0002063125,0.0001146837,0.0001469037,0.0001423955,0.0001707539,0.0001692579,0.0001637817,0.0002922397,0.0003231042],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003162095,"about_ca_system_score_gemma":0.0002263418,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002546658,"about_ca_topic_score_gemma":0.0008287225,"domain_scores_codex":[0.9999242,0.00001490106,0.000007848153,0.00001731609,0.0000219897,0.00001383568],"domain_scores_gemma":[0.9999254,0.000008833229,0.00002238387,0.000006400629,0.00001233728,0.00002456243],"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":[0.000641064,0.000136513,0.0003751807,0.0002945417,0.00002865443,0.0002170158,0.00003150762,0.003704731,0.9580317,0.001549098,0.00025619,0.0347338],"study_design_scores_gemma":[0.0003559213,0.003918123,0.001517948,0.00002025206,0.00005029906,0.000518108,0.00002062935,0.003925778,0.9746295,0.0002655945,0.01475366,0.00002420816],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9345315,0.01653801,0.03682221,0.0002233974,0.0001267747,0.0007983044,0.001022199,0.0002967041,0.009640831],"genre_scores_gemma":[0.9654312,0.006670326,0.02356306,0.0001145905,0.00003694917,0.0003038789,0.0007829648,0.00003610719,0.003060992],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001183981,"threshold_uncertainty_score":0.003960848,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007811608708286867,"score_gpt":0.3008395611012071,"score_spread":0.2930279523929203,"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."}}