{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003059921,0.000867511,0.001578433,0.0006319417,0.0002059805,0.0007131949,0.0005553024,0.0003821017,0.002049058],"category_scores_gemma":[0.0004425261,0.0002875803,0.0006380308,0.0005480095,0.0001730728,0.0002210588,0.000340942,0.0003587383,0.0002890413],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005517795,"about_ca_system_score_gemma":0.0006247289,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001583972,"about_ca_topic_score_gemma":0.00347046,"domain_scores_codex":[0.9999022,0.00002838129,0.000005525995,0.0000146742,0.00003385185,0.00001536664],"domain_scores_gemma":[0.999889,0.00005861407,0.00002181344,0.000004414309,0.0000117522,0.00001432752],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.002079875,0.001089738,0.005258626,0.0014195,0.0006943024,0.0008588815,0.00005945134,0.7414268,0.1541657,0.004297035,0.002448545,0.08620153],"study_design_scores_gemma":[0.001272122,0.003076015,0.002686386,0.00005928846,0.000612481,0.0004662985,0.00005711424,0.9087532,0.07342799,0.001248782,0.008268379,0.00007197664],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9312035,0.01268071,0.04202981,0.000437248,0.00006083722,0.0005040013,0.002595671,0.0015118,0.008976415],"genre_scores_gemma":[0.9541292,0.005801347,0.03442318,0.0001317423,0.00001633446,0.0003419974,0.002821927,0.00005041893,0.002283885],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002049058,"threshold_uncertainty_score":0.006854773,"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."}}