{"id":"W2156169240","doi":"10.1186/s13058-015-0529-8","title":"In silico discovery and validation of potent small-molecule inhibitors targeting the activation function 2 site of human oestrogen receptor α","year":2015,"lang":"en","type":"article","venue":"Breast Cancer Research","topic":"Estrogen and related hormone effects","field":"Biochemistry, Genetics and Molecular Biology","cited_by":24,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of British Columbia","funders":"Faculty of Medical and Health Sciences, University of Auckland; Canadian Cancer Society Research Institute","keywords":"Coactivator; In silico; HeLa; Estrogen receptor alpha; Cancer research; Small molecule; Estrogen receptor; Biology; Chemistry; Molecular biology; In vitro; Transcription factor; Biochemistry; Cancer; Gene; Breast cancer; Genetics","routes":{"ca_aff":true,"ca_fund":true,"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":[0.0006593368,0.001259677,0.001694781,0.0007157776,0.0003115189,0.0009765052,0.0008507136,0.0005176007,0.002693238],"category_scores_gemma":[0.0006413779,0.0003590801,0.001266473,0.0005884548,0.0002151348,0.0002880012,0.0003603054,0.0005146977,0.000790787],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005978033,"about_ca_system_score_gemma":0.001085028,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001047017,"about_ca_topic_score_gemma":0.002092784,"domain_scores_codex":[0.9997478,0.00006548881,0.00001380821,0.00004656531,0.00007773222,0.00004864636],"domain_scores_gemma":[0.9997839,0.00009931326,0.00004400985,0.00001176607,0.00003714766,0.00002389051],"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":[0.003303352,0.002001501,0.01447256,0.003764849,0.001212211,0.001733909,0.00009447325,0.6090173,0.2951417,0.003579406,0.003841378,0.06183742],"study_design_scores_gemma":[0.001217618,0.007265905,0.004008761,0.0001920383,0.00167786,0.0008835386,0.0001021599,0.793401,0.1732358,0.001067924,0.01685487,0.00009258155],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9262823,0.01170091,0.04188124,0.0005274554,0.0001029017,0.0007490852,0.005422893,0.001367745,0.01196549],"genre_scores_gemma":[0.9510589,0.006433001,0.03155458,0.0001752354,0.0000253368,0.0004082968,0.007347503,0.00008985536,0.002907341],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002693238,"threshold_uncertainty_score":0.009009778,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02506639904354191,"score_gpt":0.3150845745951495,"score_spread":0.2900181755516076,"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."}}