{"id":"W4409106744","doi":"10.3390/life15040581","title":"A New Class of BRCA1 Mimetics for ERα-Positive Breast Cancer Therapy: Design, Synthesis, In Silico Screening, In Vitro Assay, and Gene Expression Analysis","year":2025,"lang":"en","type":"article","venue":"Life","topic":"Computational Drug Discovery Methods","field":"Computer Science","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Saskatchewan","funders":"JSS Academy of Higher Education and Research","keywords":"In silico; Druggability; Chemistry; Downregulation and upregulation; Gene expression; Tamoxifen; Raloxifene; Mechanism of action; In vitro; Cancer research; Gene; Biology; Biochemistry; Pharmacology; Breast cancer; Cancer; Genetics","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":[0.0007646385,0.0001317315,0.00035358,0.0005190289,0.00003457279,0.00005807869,0.0003533098,0.00006512651,0.000004253319],"category_scores_gemma":[0.0001827875,0.0001239886,0.00008908195,0.00133998,0.00003011271,0.000189065,0.0001599539,0.0000829363,1.291562e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004662645,"about_ca_system_score_gemma":0.0003122544,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005732414,"about_ca_topic_score_gemma":0.00006614724,"domain_scores_codex":[0.9984512,0.000468589,0.0003137776,0.000387483,0.0001957931,0.0001831115],"domain_scores_gemma":[0.9973443,0.002139542,0.000119741,0.0002475135,0.00007985953,0.00006905768],"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":[0.001343481,0.0003532531,0.04364516,0.00007323342,0.000761546,0.000008489401,0.001994857,0.319425,0.1405688,0.002677039,0.0007117516,0.4884374],"study_design_scores_gemma":[0.0006728029,0.0000187709,0.1585462,0.0001100409,0.00005094442,6.9874e-7,0.00003106286,0.6256854,0.2128175,0.001895702,0.00003287002,0.0001379697],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.05703979,0.0008961945,0.9403707,0.00127814,0.00004676847,0.0002852519,0.00004006411,0.00001429344,0.00002876892],"genre_scores_gemma":[0.5843942,0.0000544856,0.4151458,0.0002843135,0.00002386967,0.00005627269,0.000003135996,0.00000577829,0.00003217384],"genre_candidate":"methods","genre_consensus":null,"teacher_disagreement_score":0.5273544,"threshold_uncertainty_score":0.5056106,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02625893755065244,"score_gpt":0.3179480348085058,"score_spread":0.2916890972578534,"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."}}