{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003469762,0.0001458937,0.0002801891,0.00003155176,0.00002983551,0.000007277567,0.00009356192,0.0001932937,0.000008453535],"category_scores_gemma":[0.0003636328,0.0001035335,0.0001074695,0.00008200311,0.0001387855,0.00001764963,0.00002784741,0.0001752529,9.058158e-8],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0000701794,"about_ca_system_score_gemma":0.0001723531,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000007550012,"about_ca_topic_score_gemma":0.000001363863,"domain_scores_codex":[0.9988691,0.00004752698,0.0004164712,0.0001724822,0.0003380964,0.0001563674],"domain_scores_gemma":[0.9990669,0.00005999635,0.0004125109,0.0001015167,0.0002435752,0.000115534],"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":[0.0007733314,0.00006602974,0.001163522,0.00001991219,0.0002955211,0.000005275094,0.00004007846,0.00001284635,0.9894186,6.522832e-7,0.002267944,0.005936324],"study_design_scores_gemma":[0.002626919,0.0006632421,0.001311929,0.0003079737,0.000114944,0.0001259288,0.0001342405,0.00001059188,0.9940479,0.00001174392,0.0005242788,0.0001202749],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.988229,0.00174412,0.009289186,0.0004682993,0.00008952738,0.00005556535,0.00005938546,0.000002840535,0.000062017],"genre_scores_gemma":[0.9986554,0.0003886569,0.00008923605,0.00003382753,0.0004610719,0.000001661346,0.00002085582,0.00001719091,0.000332104],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01042634,"threshold_uncertainty_score":0.4221973,"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."}}