{"id":"W1986357594","doi":"10.1016/j.ejphar.2009.06.065","title":"Rational drug design","year":2009,"lang":"en","type":"review","venue":"European Journal of Pharmacology","topic":"Computational Drug Discovery Methods","field":"Computer Science","cited_by":293,"is_retracted":false,"has_abstract":false,"ca_institutions":"College of the North Atlantic; Memorial University of Newfoundland; University of Manitoba; Children's Hospital Research Institute of Manitoba","funders":"","keywords":"Risk analysis (engineering); Drug design; Drug; Rational design; Drug development; Multidisciplinary approach; Computer science; Process (computing); Drug discovery; Computational biology; Management science; Biochemical engineering; Data science; Bioinformatics; Medicine; Pharmacology; Engineering; Biology","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":[0.0006262783,0.001394774,0.001926171,0.001295439,0.0003214479,0.0009962479,0.001432056,0.001099736,0.006177069],"category_scores_gemma":[0.00083994,0.0004561348,0.0009190771,0.001272233,0.0009802921,0.000898081,0.0009062199,0.002029015,0.004210985],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001009946,"about_ca_system_score_gemma":0.001604061,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000905268,"about_ca_topic_score_gemma":0.001115221,"domain_scores_codex":[0.9996086,0.00008394026,0.00002379115,0.00006794967,0.0001844316,0.00003130176],"domain_scores_gemma":[0.9997839,0.0001025843,0.00002315834,0.0000364302,0.00004286165,0.00001105003],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"design_other","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.0000929616,0.0001785243,0.0001506981,0.00405355,0.0001606458,0.0001249203,0.00002615524,0.01020592,0.003487797,0.08076323,0.03889133,0.8618642],"study_design_scores_gemma":[0.0001360227,0.0002063178,0.0002811463,0.001322992,0.00016317,0.0007835246,0.00002062283,0.0197791,0.0066642,0.07391901,0.8966803,0.00004359189],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":null,"genre_codex":"review","genre_gemma":"review","genre_scores_codex":[0.003589688,0.6275463,0.2888618,0.005428159,0.002618715,0.0005097783,0.0007548573,0.001094787,0.06959601],"genre_scores_gemma":[0.04735128,0.7660992,0.1513965,0.002776582,0.001221925,0.0005586583,0.001459813,0.0001267167,0.02900944],"genre_candidate":"review","genre_consensus":"review","teacher_disagreement_score":0.006177069,"threshold_uncertainty_score":0.02066433,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.1029072383634484,"score_gpt":0.4060012137339986,"score_spread":0.3030939753705502,"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."}}