{"id":"W2921648918","doi":"10.1021/acs.estlett.9b00073","title":"Molecular Initiating Events of Bisphenols on Androgen Receptor-Mediated Pathways Provide Guidelines for <i>in Silico</i> Screening and Design of Substitute Compounds","year":2019,"lang":"en","type":"article","venue":"Environmental Science & Technology Letters","topic":"Effects and risks of endocrine disrupting chemicals","field":"Environmental Science","cited_by":27,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Saskatchewan","funders":"Government of Jiangsu Province; Ministry of Science and Technology of the People's Republic of China; National Natural Science Foundation of China","keywords":"In silico; Androgen receptor; Corepressor; Agonist; Ligand (biochemistry); Chemistry; Pharmacology; Receptor; Computational biology; Nuclear receptor; Biochemistry; Biology; Transcription factor; Genetics; 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":[],"consensus_categories":[],"category_scores_codex":[0.0005719925,0.0001809002,0.0002685854,0.0001906312,0.00008351687,0.000007091337,0.0004399671,0.00007685828,0.00002279191],"category_scores_gemma":[0.0002223848,0.0001593047,0.00004469512,0.0004583188,0.001223526,0.0001939322,0.0002874887,0.0001327799,0.00001144565],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001024359,"about_ca_system_score_gemma":0.000008831718,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00003651096,"about_ca_topic_score_gemma":0.000001204241,"domain_scores_codex":[0.9982914,0.00002919146,0.0004038435,0.000510646,0.0003631383,0.0004017529],"domain_scores_gemma":[0.9992683,0.000153375,0.0002410215,0.0002739386,0.000005503075,0.00005787296],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.00002550895,0.00005910617,0.1364083,0.00001116294,0.000005081547,0.000002298217,0.00004811708,0.004902492,0.8566457,0.00002657371,0.00002762253,0.001838004],"study_design_scores_gemma":[0.0008969286,0.0002924677,0.007815349,0.0001110001,0.000007592109,0.000005946644,0.0001815626,0.002537662,0.9876879,0.0001215468,0.0001331549,0.0002088839],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9974209,0.00005646557,0.0008219132,0.0007964948,0.00003627073,0.0007748702,0.00001959889,0.00002740655,0.00004604729],"genre_scores_gemma":[0.9806373,0.00002153524,0.01885203,0.0004210943,0.000004174838,0.00003893572,0.000007975507,0.00001421737,0.000002808171],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1310422,"threshold_uncertainty_score":0.6496258,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01992274890186053,"score_gpt":0.2908441213424368,"score_spread":0.2709213724405763,"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."}}