{"id":"W2473904577","doi":"10.1021/acs.jmedchem.6b00668","title":"Discovery of a Potent and Selective Coactivator Associated Arginine Methyltransferase 1 (CARM1) Inhibitor by Virtual Screening","year":2016,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Cancer-related gene regulation","field":"Biochemistry, Genetics and Molecular Biology","cited_by":58,"is_retracted":false,"has_abstract":true,"ca_institutions":"Princess Margaret Cancer Centre; Structural Genomics Consortium; University of Toronto","funders":"Wellcome Trust","keywords":"Methyltransferase; Virtual screening; Chemistry; Protein arginine methyltransferase 5; Arginine; Biochemistry; Phenotypic screening; IC50; Docking (animal); Enzyme; Computational biology; Drug discovery; Pharmacology; Phenotype; Amino acid; In vitro; Methylation; Biology; 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":[0.0004605752,0.0006969799,0.0009886147,0.0005639268,0.0002901202,0.0005921092,0.0005705264,0.0003276371,0.001004523],"category_scores_gemma":[0.0003560453,0.0002057491,0.0005120092,0.0004340831,0.000255664,0.0002547233,0.000549398,0.0005294951,0.0003258407],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004799496,"about_ca_system_score_gemma":0.0004107512,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004642471,"about_ca_topic_score_gemma":0.001226979,"domain_scores_codex":[0.999808,0.00004302179,0.00001090714,0.00003828277,0.00006134254,0.00003834931],"domain_scores_gemma":[0.9999267,0.00002206499,0.00001501585,0.000005911339,0.00001084816,0.00001945625],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0009870369,0.001015337,0.002840156,0.0004839191,0.0002669022,0.0007473081,0.0001033266,0.05101096,0.8581748,0.002235045,0.001974043,0.08016109],"study_design_scores_gemma":[0.0007292477,0.006165778,0.003690413,0.00005272667,0.0005252119,0.001473773,0.0000883736,0.08584157,0.8819605,0.0009412315,0.01843987,0.00009126979],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9546859,0.005454183,0.02918988,0.0004134355,0.00006800225,0.0004573877,0.001112709,0.0008419228,0.007776592],"genre_scores_gemma":[0.9742414,0.002696804,0.01889211,0.0001803569,0.0000135394,0.000160155,0.001125604,0.00004403486,0.002645851],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001004523,"threshold_uncertainty_score":0.003482282,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.004604951324263696,"score_gpt":0.2239887958915438,"score_spread":0.2193838445672801,"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."}}