{"id":"W2029345540","doi":"10.1021/ml300467n","title":"Synthesis, Optimization, and Evaluation of Novel Small Molecules as Antagonists of WDR5-MLL Interaction","year":2013,"lang":"en","type":"article","venue":"ACS Medicinal Chemistry Letters","topic":"Epigenetics and DNA Methylation","field":"Biochemistry, Genetics and Molecular Biology","cited_by":74,"is_retracted":false,"has_abstract":true,"ca_institutions":"Structural Genomics Consortium; Ontario Institute for Cancer Research; University of Toronto","funders":"","keywords":"Methyltransferase; Antagonism; Small molecule; Antagonist; Epigenetics; Histone methyltransferase; Chemistry; Transferase; Protein subunit; Computational biology; Lysine; Function (biology); Histone H3; Protein–protein interaction; Pharmacology; Enzyme; Stereochemistry; Biochemistry; Biology; Cell biology; Methylation; Amino acid; Receptor; Gene","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":[0.0003052199,0.0001169477,0.0001399541,0.00002693741,0.00002703931,0.000009354763,0.00009191385,0.00009987643,0.00005580459],"category_scores_gemma":[0.0003114137,0.0001142376,0.00003520783,0.00005675705,0.0001178284,0.000006639604,0.0000390903,0.00005804256,6.267431e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001578755,"about_ca_system_score_gemma":0.00005115062,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001402876,"about_ca_topic_score_gemma":0.000002661091,"domain_scores_codex":[0.9991024,0.00003764328,0.0002796332,0.0002182677,0.0002538065,0.0001082637],"domain_scores_gemma":[0.9991717,0.00003549562,0.000227169,0.0002009048,0.0003089307,0.00005585239],"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":[0.00002031975,0.00004595203,0.0006288337,0.0000792029,0.00003956874,2.75236e-7,0.00004931702,0.006832525,0.9901994,0.000002085854,0.00006875938,0.002033691],"study_design_scores_gemma":[0.0004474062,0.00004241082,0.00103216,0.00006045655,0.00008788734,0.000008126017,0.0001469239,0.005802378,0.9921569,0.00001704388,0.00009499634,0.0001032651],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9890141,0.0006289505,0.009038493,0.0006152539,0.00004974577,0.0001542555,0.000006123717,0.000003646373,0.0004894148],"genre_scores_gemma":[0.9966172,0.000215009,0.002805867,0.0001087698,0.00009449626,0.00002746154,0.0001052277,0.00001303888,0.00001291885],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.007603094,"threshold_uncertainty_score":0.4658474,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01894255383194723,"score_gpt":0.2731270951153911,"score_spread":0.2541845412834439,"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."}}