{"id":"W2975310574","doi":"10.3390/molecules24193459","title":"Computer-Aided Discovery of Small Molecule Inhibitors of Thymocyte Selection-Associated High Mobility Group Box Protein (TOX) as Potential Therapeutics for Cutaneous T-Cell Lymphomas","year":2019,"lang":"en","type":"article","venue":"Molecules","topic":"Ubiquitin and proteasome pathways","field":"Biochemistry, Genetics and Molecular Biology","cited_by":10,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of British Columbia","funders":"Canadian Institutes of Health Research; Canadian Dermatology Foundation","keywords":"Druggability; Virtual screening; Small molecule; Drug discovery; In silico; Computational biology; Docking (animal); Chemistry; Biology; Bioinformatics; Medicine; Biochemistry","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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0001927466,0.0002911116,0.0003824735,0.0000642311,0.00006592314,0.0000304757,0.0002779609,0.0003084397,0.0000141244],"category_scores_gemma":[0.00002660871,0.0002861646,0.0003009699,0.0001409892,0.0001061635,0.000008879461,0.000143485,0.0001008582,0.000004184906],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004012509,"about_ca_system_score_gemma":0.0001778969,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002419965,"about_ca_topic_score_gemma":0.00004929375,"domain_scores_codex":[0.9982661,0.0001580745,0.0004798894,0.000518275,0.0002222325,0.0003554292],"domain_scores_gemma":[0.9989387,0.00002702684,0.0003720766,0.0003907922,0.0002092644,0.00006218787],"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":[0.0004679714,0.0005562165,0.0006285743,0.0001911597,0.0001670188,0.000003527154,0.0000561705,0.0003043088,0.996549,0.0002873982,0.00002797582,0.0007607064],"study_design_scores_gemma":[0.00172059,0.002592108,0.0003691851,0.00005002356,0.00006124276,0.00001470469,0.00005898841,0.0007542871,0.9934069,0.000488413,0.0001780897,0.0003055028],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9876805,0.0003756768,0.009897452,0.00002742978,0.0001773681,0.001430428,0.0001720366,0.00002741829,0.0002116702],"genre_scores_gemma":[0.996017,0.00003014108,0.002952539,0.0001105225,0.0001017459,0.00008903504,0.0002987704,0.00005623653,0.0003439797],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00833651,"threshold_uncertainty_score":0.9999591,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00649872741995335,"score_gpt":0.2060420391836651,"score_spread":0.1995433117637117,"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."}}