{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001020011,0.0002557261,0.00022412,0.00019997,0.0001106885,0.0001410292,0.0001720338,0.0001741743,0.0007794935],"category_scores_gemma":[0.00006644941,0.0001096392,0.0001981253,0.0001749077,0.0001038835,0.0001323851,0.0001016112,0.0003388221,0.0002499469],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002246714,"about_ca_system_score_gemma":0.0001852092,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002921673,"about_ca_topic_score_gemma":0.0008279944,"domain_scores_codex":[0.9999614,0.000006546317,0.000002447314,0.0000102404,0.00001304372,0.000006316761],"domain_scores_gemma":[0.9999741,0.000003842973,0.000009732198,0.000002097634,0.000005530726,0.000004688658],"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":[0.0001199623,0.00007565986,0.0002667009,0.0002701444,0.00001755152,0.0001535483,0.0000322184,0.001183431,0.9839941,0.0005751427,0.0002090395,0.01310248],"study_design_scores_gemma":[0.00007529269,0.001994163,0.002011544,0.00001909283,0.00005087999,0.0005998802,0.00003140864,0.002268051,0.9732103,0.0001481786,0.01957226,0.00001880658],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9518254,0.01520606,0.02593894,0.0004187915,0.00006641973,0.0002633518,0.001013233,0.0002882177,0.00497963],"genre_scores_gemma":[0.9684281,0.008570207,0.01672378,0.0001581703,0.00002217021,0.000127668,0.0007831331,0.00002068979,0.005166158],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0007794935,"threshold_uncertainty_score":0.002607644,"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."}}