{"id":"W2018518196","doi":"10.1093/nar/gkt1068","title":"DrugBank 4.0: shedding new light on drug metabolism","year":2013,"lang":"en","type":"article","venue":"Nucleic Acids Research","topic":"Computational Drug Discovery Methods","field":"Computer Science","cited_by":2064,"is_retracted":false,"has_abstract":true,"ca_institutions":"National Institute for Nanotechnology; University of Alberta","funders":"Genome Alberta; Canadian Institutes of Health Research; Alberta Innovates; Alberta Innovates - Health Solutions; Genome Canada","keywords":"DrugBank; In silico; Drug; Drug metabolism; Drug discovery; Pharmacology; Biology; Computational biology; Bioinformatics; 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":[0.00979786,0.001453396,0.003221666,0.006454086,0.0005521172,0.007499886,0.003256211,0.001765015,0.03243281],"category_scores_gemma":[0.02448891,0.001479618,0.001713047,0.009644044,0.0008703492,0.006738243,0.005014986,0.004072667,0.0252455],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.002264241,"about_ca_system_score_gemma":0.004849317,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003911645,"about_ca_topic_score_gemma":0.00287798,"domain_scores_codex":[0.9953749,0.001408738,0.0006255645,0.0008287582,0.00148028,0.0002818785],"domain_scores_gemma":[0.9849931,0.005427069,0.001619681,0.003541483,0.00241681,0.002001845],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"not_applicable","study_design_gemma":"not_applicable","study_design_scores_codex":[0.001181907,0.00009391278,0.003634992,0.001735122,0.0001685215,0.0001765787,0.0001270698,0.002071355,0.003963621,0.0171074,0.7628331,0.2069064],"study_design_scores_gemma":[0.0001906585,0.00007577819,0.003148733,0.0003358383,0.00008666861,0.0002233239,0.00003325715,0.002204283,0.002212469,0.009441098,0.9819802,0.00006780933],"study_design_candidate":"not_applicable","study_design_consensus":"not_applicable","genre_codex":"dataset","genre_gemma":"software","genre_scores_codex":[0.02146601,0.0696017,0.1241403,0.0569322,0.003163357,0.0007200086,0.562535,0.1021335,0.05930797],"genre_scores_gemma":[0.04988099,0.0585453,0.187668,0.02075808,0.002974483,0.001008482,0.6366575,0.02315073,0.01935641],"genre_candidate":"software","genre_consensus":null,"teacher_disagreement_score":0.03243281,"threshold_uncertainty_score":0,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04963956558686514,"score_gpt":0.3670297575201365,"score_spread":0.3173901919332713,"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."}}