{"id":"W4378715818","doi":"10.1038/s41467-023-38668-2","title":"From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia","year":2023,"lang":"en","type":"article","venue":"Nature Communications","topic":"Biochemical and Molecular Research","field":"Biochemistry, Genetics and Molecular Biology","cited_by":13,"is_retracted":false,"has_abstract":true,"ca_institutions":"Simon Fraser University; Okanagan University College; University of British Columbia, Okanagan Campus; University of British Columbia; Ontario Institute for Cancer Research","funders":"Société d'Accélération du Transfert de Technologies; French Infrastructure for Integrated Structural Biology; H2020 Marie Skłodowska-Curie Actions; Ligue Contre le Cancer; Fondation de France; Fondation ARC pour la Recherche sur le Cancer; European Synchrotron Radiation Facility; Agence Nationale de la Recherche; National Cancer Institute; Institut National Du Cancer; University of Auckland","keywords":"Nucleotide salvage; Drug discovery; Drug; Cancer research; Lymphoblastic Leukemia; Computational biology; Drug development; Leukemia; Chemistry; Pharmacology; Biology; Biochemistry; Nucleotide; Genetics; 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":[0.0001982371,0.0001832083,0.0001536051,0.0001288495,0.000302122,0.00008074992,0.001320747,0.0002723328,0.000006836869],"category_scores_gemma":[0.0003112768,0.0001775871,0.0000977733,0.0007484606,0.00007798725,0.000004064898,0.000859121,0.0004746917,0.00006057004],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00009181858,"about_ca_system_score_gemma":0.0002642371,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00009017799,"about_ca_topic_score_gemma":0.00006457598,"domain_scores_codex":[0.9985167,0.0002116482,0.0002018376,0.0004865073,0.0002509689,0.0003323309],"domain_scores_gemma":[0.9974812,0.0001009635,0.00004627607,0.001938059,0.0001847604,0.0002487986],"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":[0.00009061168,0.0000528249,0.00003577856,0.000006608724,0.00008187297,0.000002494296,0.0001729973,0.00152445,0.9173858,0.0001471403,0.08010205,0.0003974158],"study_design_scores_gemma":[0.000604754,0.00007450559,0.0006492313,0.00004938577,0.00006221807,0.000008827896,0.0001238235,0.005484232,0.9353929,0.0003079494,0.05681773,0.0004244442],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9033563,0.002662336,0.07454566,0.01331555,0.0002513824,0.002013508,0.0007289537,0.0002914263,0.002834917],"genre_scores_gemma":[0.9259088,0.00003682069,0.0684683,0.002051713,0.0001094608,0.0002129852,0.002563893,0.00003832966,0.0006096644],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02328431,"threshold_uncertainty_score":0.7241793,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01674279562014418,"score_gpt":0.2990950259840117,"score_spread":0.2823522303638675,"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."}}