{"id":"W1999727136","doi":"10.1021/ci100204x","title":"Reducing Docking Score Variations Arising from Input Differences","year":2010,"lang":"en","type":"article","venue":"Journal of Chemical Information and Modeling","topic":"Software Reliability and Analysis Research","field":"Computer Science","cited_by":10,"is_retracted":false,"has_abstract":true,"ca_institutions":"University Health Network","funders":"","keywords":"Docking (animal); Computer science; Biological system; Chemistry; Biology; 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":[0.009390213,0.001145039,0.001364247,0.001114103,0.0004591428,0.001273467,0.001377812,0.0008020034,0.0006730516],"category_scores_gemma":[0.06285128,0.0004510375,0.0008793318,0.001691921,0.0005614213,0.001065277,0.001948084,0.001456326,0.0003075639],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005648548,"about_ca_system_score_gemma":0.000797249,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006569918,"about_ca_topic_score_gemma":0.0005486481,"domain_scores_codex":[0.9915188,0.003136578,0.0008951881,0.001386257,0.002715443,0.0003476613],"domain_scores_gemma":[0.9462667,0.03530067,0.003121956,0.01009104,0.004690439,0.0005290878],"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":[0.004268595,0.00087268,0.05962773,0.001041893,0.0008724916,0.0006887419,0.001484555,0.3867619,0.1900883,0.003201101,0.002521712,0.3485703],"study_design_scores_gemma":[0.0002629913,0.002615425,0.08167522,0.00008325717,0.0004808353,0.001292294,0.0002455628,0.6748915,0.2271885,0.007208064,0.003790537,0.0002659437],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"methods","genre_scores_codex":[0.7498444,0.0005376248,0.2419715,0.0002369295,0.00008042568,0.0002034163,0.0004231992,0.005294094,0.001408416],"genre_scores_gemma":[0.9217166,0.0001558059,0.07494026,0.00009443809,0.00002758838,0.0002482448,0.0009822907,0.001293883,0.0005409077],"genre_candidate":"methods","genre_consensus":null,"teacher_disagreement_score":0.009390213,"threshold_uncertainty_score":0.0496608,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03516301260521346,"score_gpt":0.2868699511396676,"score_spread":0.2517069385344541,"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."}}