{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002763351,0.0006385761,0.000743197,0.0004344252,0.0002796455,0.0003980041,0.0006127736,0.0003733097,0.002176078],"category_scores_gemma":[0.0002326092,0.00027089,0.0003769991,0.0003572963,0.0002118599,0.0002912268,0.000302479,0.0006681539,0.0006897453],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000406622,"about_ca_system_score_gemma":0.0004552235,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007692251,"about_ca_topic_score_gemma":0.002231818,"domain_scores_codex":[0.9998722,0.00002143551,0.00001333894,0.0000238174,0.00003040331,0.00003881847],"domain_scores_gemma":[0.9999293,0.00001022226,0.00001528569,0.000007285445,0.00001769996,0.00002025838],"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":[0.0005732836,0.0007255569,0.0002847385,0.0004812927,0.00009231448,0.0004252421,0.0001070586,0.005682586,0.963708,0.001322315,0.0009607828,0.02563679],"study_design_scores_gemma":[0.001378726,0.009583296,0.001962668,0.00008774468,0.0002474175,0.0007493626,0.00008945456,0.006419545,0.9481441,0.0003620264,0.03089581,0.00007992834],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9530612,0.01347707,0.01725678,0.000497642,0.000167104,0.001388807,0.002190036,0.0004017985,0.01155966],"genre_scores_gemma":[0.9563569,0.01417154,0.01767374,0.0003571029,0.00005585113,0.0005725925,0.003181595,0.00005480363,0.007575809],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002176078,"threshold_uncertainty_score":0.007279694,"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."}}