{"id":"W2097979965","doi":"10.1021/jm800251w","title":"Discovery of <i>N</i>-(2-Aminophenyl)-4-[(4-pyridin-3-ylpyrimidin-2-ylamino)methyl]benzamide (MGCD0103), an Orally Active Histone Deacetylase Inhibitor","year":2008,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Histone Deacetylase Inhibitors Research","field":"Biochemistry, Genetics and Molecular Biology","cited_by":108,"is_retracted":false,"has_abstract":true,"ca_institutions":"Pyrogenesis (Canada)","funders":"Pharmacyclics","keywords":"Benzamide; Chemistry; Orally active; Histone deacetylase inhibitor; Histone deacetylase; Stereochemistry; Pharmacology; Biochemistry; Histone; 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":[0.0001142948,0.0002963089,0.0002462199,0.0001388032,0.0001103978,0.0002920782,0.0003737076,0.0002325744,0.001000658],"category_scores_gemma":[0.0001115521,0.0001239791,0.0001785331,0.00008782635,0.0001555932,0.0001713807,0.0001310952,0.000414078,0.0004849919],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004223281,"about_ca_system_score_gemma":0.0003803643,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000832332,"about_ca_topic_score_gemma":0.001840382,"domain_scores_codex":[0.9999516,0.000007533577,0.000002566593,0.000009846321,0.0000138364,0.00001456953],"domain_scores_gemma":[0.999961,0.000003507912,0.00001126368,0.000002059485,0.000008447785,0.00001369124],"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":[0.000470485,0.0001970262,0.0004609357,0.0001819803,0.00001665087,0.0002651925,0.0000242712,0.0007215537,0.9613326,0.001042399,0.001078912,0.0342081],"study_design_scores_gemma":[0.0006137073,0.004005124,0.003102489,0.0000367967,0.00006296204,0.00123238,0.00002286839,0.00321054,0.9540846,0.0003345772,0.0332758,0.00001809953],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9428644,0.01797191,0.01947813,0.001178926,0.0002446359,0.0003460857,0.0008844387,0.0004141726,0.01661712],"genre_scores_gemma":[0.972783,0.009890135,0.008580097,0.0004852886,0.00008099916,0.0001101358,0.001098816,0.00004515842,0.006926458],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001000658,"threshold_uncertainty_score":0.003347576,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01822849253475215,"score_gpt":0.2979446901774546,"score_spread":0.2797161976427024,"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."}}