{"id":"W2598099381","doi":"10.1039/c7md00052a","title":"Histone lysine methyltransferase structure activity relationships that allow for segregation of G9a inhibition and anti-Plasmodium activity","year":2017,"lang":"en","type":"article","venue":"MedChemComm","topic":"HIV/AIDS drug development and treatment","field":"Medicine","cited_by":28,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto; Structural Genomics Consortium; Toronto Public Health","funders":"Novartis Pharma; Ministero dello Sviluppo Economico; Wellcome Trust; Agence Nationale de la Recherche; Wellcome; Imperial College London; Cancer Research UK; Ontario Ministry of Economic Development and Innovation; Alliance Française contre les Maladies Parasitaires; European Federation of Pharmaceutical Industries and Associations; Fundação de Amparo à Pesquisa do Estado de São Paulo; Genome Canada; European Commission; Pfizer","keywords":"Lysine; Methyltransferase; Histone; Biology; Quinazoline; Computational biology; Chemistry; Biochemistry; Methylation; Gene; Stereochemistry; Amino acid","routes":{"ca_aff":true,"ca_fund":true,"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":[0.0002314663,0.0002478304,0.0002681935,0.0001805504,0.00008897828,0.0003088703,0.0002078904,0.0002176284,0.002973604],"category_scores_gemma":[0.0002172714,0.0001251958,0.0001925658,0.0001743516,0.0002466318,0.0002236107,0.0001359038,0.0004264454,0.0006163777],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000332058,"about_ca_system_score_gemma":0.0002894712,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005098053,"about_ca_topic_score_gemma":0.001655511,"domain_scores_codex":[0.9999059,0.00002054727,0.000007098786,0.00002428031,0.00002130614,0.00002073465],"domain_scores_gemma":[0.9999211,0.00001911749,0.00002480829,0.00001232619,0.000009962405,0.00001264018],"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":[0.0001340043,0.00004922377,0.0003678116,0.00002223833,0.000006958908,0.00003207347,0.000007842264,0.0004421066,0.9944635,0.0002285252,0.0000737707,0.004171964],"study_design_scores_gemma":[0.00007009328,0.001037118,0.003028911,0.00000449017,0.00001772488,0.0001965451,0.00001437322,0.001676125,0.9909525,0.0001445238,0.002848248,0.000009449202],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9796085,0.001240611,0.01024256,0.0002246552,0.0000235452,0.0001216095,0.0006332437,0.0002487707,0.007656421],"genre_scores_gemma":[0.9913925,0.0005389641,0.006359747,0.00007442512,0.000004434066,0.00002124549,0.0003977928,0.00002088418,0.00118992],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002973604,"threshold_uncertainty_score":0.009947717,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.05188663878967256,"score_gpt":0.3146477851990782,"score_spread":0.2627611464094056,"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."}}