{"id":"W2991689325","doi":"10.1016/j.envres.2019.108982","title":"Computational evaluation of interactions between organophosphate esters and nuclear hormone receptors","year":2019,"lang":"en","type":"article","venue":"Environmental Research","topic":"Effects and risks of endocrine disrupting chemicals","field":"Environmental Science","cited_by":32,"is_retracted":false,"has_abstract":false,"ca_institutions":"Environment and Climate Change Canada","funders":"Natural Science Foundation of Shandong Province; China Scholarship Council; National Natural Science Foundation of China","keywords":"Nuclear receptor; Chemistry; Organophosphate; Docking (animal); Receptor; Virtual screening; Endocrine disruptor; Androgen receptor; Binding site; Estrogen receptor alpha; Estrogen receptor; Computational biology; Endocrine system; Hormone; Pharmacology; Biochemistry; Transcription factor; Internal medicine; Biology; Drug discovery; Medicine; Pesticide; Prostate cancer; Gene","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":["insufficient_payload"],"consensus_categories":["insufficient_payload"],"category_scores_codex":[0.0009116049,0.00008279891,0.0001127034,0.00004659983,0.0001021051,0.00001821705,0.0001315307,0.00003069862,0.004977654],"category_scores_gemma":[0.00007595738,0.00007454446,0.00002919446,0.0001127848,0.0003242298,0.0001715397,0.0003107528,0.0002045864,0.001077101],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002229314,"about_ca_system_score_gemma":0.000005066971,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00008271801,"about_ca_topic_score_gemma":0.000001670686,"domain_scores_codex":[0.9982148,0.000162102,0.0001652937,0.0002657734,0.0009771236,0.000214865],"domain_scores_gemma":[0.9993978,0.0002835616,0.00006727308,0.0001517124,0.000006829811,0.0000928064],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"observational","study_design_gemma":"observational","study_design_scores_codex":[0.00005226271,0.0002244501,0.6781272,0.0000156282,0.00004319305,0.000001527873,0.000791671,0.00268495,0.260338,0.00003108845,0.001373014,0.05631701],"study_design_scores_gemma":[0.001014535,0.0002255731,0.9773784,0.00002489403,0.0000264229,0.000004406452,0.000788497,0.005637946,0.009271553,0.001420337,0.00403,0.000177381],"study_design_candidate":"observational","study_design_consensus":"observational","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9960006,0.00006817769,0.000002413093,0.0001228492,0.00003652837,0.0003349791,0.00001011451,0.000008086881,0.003416199],"genre_scores_gemma":[0.9991491,0.00003807812,0.0003716968,0.00001556971,0.00001620602,0.000007334605,0.00002733883,0.00001568099,0.000358983],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.2992513,"threshold_uncertainty_score":0.9997007,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03150370026155502,"score_gpt":0.3947631655033056,"score_spread":0.3632594652417506,"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."}}