{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004837751,0.00006102544,0.0001414454,0.0001487964,0.00009239942,0.0004102787,0.0002834295,0.00006903201,0.000008812668],"category_scores_gemma":[0.0005212589,0.00004761932,0.00006205816,0.00016771,0.00002238005,0.002141471,0.00009813446,0.0004427927,0.000001813368],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001717021,"about_ca_system_score_gemma":0.00008668483,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0000417742,"about_ca_topic_score_gemma":8.051466e-7,"domain_scores_codex":[0.998986,0.00001627071,0.000501219,0.00006633349,0.0003198209,0.000110337],"domain_scores_gemma":[0.999092,0.0001582125,0.0002092038,0.0001231056,0.0003102394,0.0001072497],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"design_other","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.00004389742,0.0001491379,0.006943241,0.00009740863,0.0001903672,0.000004601664,0.01686595,0.05559375,0.2000127,0.02006502,0.000139489,0.6998945],"study_design_scores_gemma":[0.0001491395,0.000007589015,0.0001033979,0.0000482081,0.000007764189,0.00001413138,0.00005446964,0.9858262,0.004180923,0.0094877,0.0000620799,0.00005837788],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.5077065,0.00001828172,0.4917627,0.0003745291,0.00007346825,0.00001194996,3.791328e-7,0.000009420648,0.00004284616],"genre_scores_gemma":[0.9289541,0.00003269926,0.07080998,0.00009684044,0.0001023313,4.63304e-7,0.000001780242,0.000001264915,4.994124e-7],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.9302325,"threshold_uncertainty_score":0.3956327,"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."}}