{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0009197947,0.0002066494,0.0003972423,0.00007405395,0.00006714908,0.00001159749,0.0002985314,0.0002694643,0.00004894273],"category_scores_gemma":[0.001225263,0.0001752041,0.0001541596,0.0001065648,0.0004815948,0.00001268935,0.0001036199,0.0008286961,0.0000013162],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004598712,"about_ca_system_score_gemma":0.0003565441,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001874928,"about_ca_topic_score_gemma":0.000006421579,"domain_scores_codex":[0.9984124,0.00005320813,0.0004766654,0.0002371925,0.0005416833,0.0002788772],"domain_scores_gemma":[0.9984976,0.0001212162,0.0004857136,0.0002954625,0.0003073282,0.0002926616],"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":[0.0005212558,0.0001165081,0.0003689807,0.0001525981,0.00006848661,0.00005301008,0.00005062598,0.000004165258,0.990822,2.581655e-7,0.004061884,0.003780192],"study_design_scores_gemma":[0.0007875314,0.0002283053,0.0006815844,0.0001306513,0.00005655184,0.001080647,0.00008668481,0.00004282856,0.9943641,0.000005324743,0.002379995,0.000155839],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9973499,0.001356445,0.0003440872,0.0002507613,0.0002971854,0.00008674645,0.000005990859,0.000003351786,0.000305581],"genre_scores_gemma":[0.9973962,0.0002234976,0.001047017,0.00002425745,0.0009653273,0.000004718013,0.000003061263,0.00002546061,0.0003104077],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003624353,"threshold_uncertainty_score":0.7144615,"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."}}