{"id":"W2093239283","doi":"10.1021/ci9000629","title":"Effect of Input Differences on the Results of Docking Calculations","year":2009,"lang":"en","type":"article","venue":"Journal of Chemical Information and Modeling","topic":"Fault Detection and Control Systems","field":"Engineering","cited_by":62,"is_retracted":false,"has_abstract":true,"ca_institutions":"University Health Network","funders":"","keywords":"Docking (animal); Computer science; Computational biology; Biological system; Chemistry; Biology; Medicine; Veterinary medicine","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":[0.01318314,0.00166274,0.001756511,0.00100592,0.000906089,0.002423137,0.001847746,0.001468698,0.002917942],"category_scores_gemma":[0.1042661,0.0008843346,0.0008715409,0.001714265,0.0007967763,0.001334686,0.001797785,0.001721434,0.0007593249],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001152869,"about_ca_system_score_gemma":0.0006869416,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002337821,"about_ca_topic_score_gemma":0.001508211,"domain_scores_codex":[0.9865877,0.006235934,0.0015167,0.001511844,0.003477045,0.0006707681],"domain_scores_gemma":[0.85921,0.1166392,0.003013744,0.01122528,0.009239857,0.0006718572],"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":[0.006273479,0.000552065,0.02109805,0.001007447,0.0005714268,0.0009730524,0.0008782186,0.7436019,0.07097589,0.00203082,0.001655472,0.1503822],"study_design_scores_gemma":[0.0003179763,0.001810376,0.01940671,0.0001511861,0.0002689945,0.0005160085,0.0002872164,0.7632294,0.2084214,0.002957548,0.002439172,0.0001940343],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8573662,0.001158378,0.1269087,0.0007107892,0.0003117483,0.0002661238,0.000905607,0.007968563,0.004403897],"genre_scores_gemma":[0.9496698,0.0002133153,0.04703423,0.0001874287,0.00002462604,0.0001334307,0.0007105331,0.001432658,0.0005939592],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01318314,"threshold_uncertainty_score":0.06971997,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01208712897630843,"score_gpt":0.2383804350352264,"score_spread":0.2262933060589179,"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."}}