{"id":"W3175900633","doi":"10.1177/24725552211019409","title":"Discovery of the SMYD3 Inhibitor BAY-6035 Using Thermal Shift Assay (TSA)-Based High-Throughput Screening","year":2021,"lang":"en","type":"article","venue":"SLAS DISCOVERY","topic":"Epigenetics and DNA Methylation","field":"Biochemistry, Genetics and Molecular Biology","cited_by":25,"is_retracted":false,"has_abstract":false,"ca_institutions":"Structural Genomics Consortium; University of Toronto","funders":"","keywords":"Kinase; Isothermal titration calorimetry; Receptor tyrosine kinase; Allosteric regulation; Biology; Chemistry; Protein kinase domain; Cell biology; Cancer research; Biochemistry; 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":[0.0004380819,0.0007868223,0.000776027,0.0004989533,0.0002772741,0.0005273857,0.0006867887,0.0003779937,0.001454293],"category_scores_gemma":[0.0002179771,0.0002705096,0.0006184369,0.0004593924,0.0002262924,0.0002970112,0.0004402706,0.0009287591,0.0005916897],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008739329,"about_ca_system_score_gemma":0.000725726,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001697477,"about_ca_topic_score_gemma":0.006457803,"domain_scores_codex":[0.9998068,0.00001792932,0.00001109336,0.00002679785,0.00008445496,0.00005292945],"domain_scores_gemma":[0.999926,0.00001091337,0.00001335964,0.000008109001,0.00002045787,0.00002115086],"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":[0.0003358607,0.0002068325,0.0005820545,0.0001407055,0.0000637113,0.0001183618,0.00002211214,0.001342394,0.9776883,0.0003569682,0.0008950363,0.0182476],"study_design_scores_gemma":[0.0001258521,0.001060928,0.002043942,0.000009863238,0.00009250641,0.000219133,0.00002467615,0.005466448,0.984738,0.0001642331,0.006032771,0.00002157648],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9291915,0.01032572,0.04672179,0.00102198,0.0001665884,0.0006483118,0.003051923,0.001825932,0.007046173],"genre_scores_gemma":[0.9677485,0.006450609,0.01667519,0.0002834911,0.00002247023,0.000223747,0.002488269,0.00004705242,0.006060628],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001697477,"threshold_uncertainty_score":0.006340921,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01542430329173142,"score_gpt":0.2532148139494582,"score_spread":0.2377905106577267,"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."}}