{"id":"W3204359009","doi":"10.1021/acs.jmedchem.1c00779","title":"Flavonoid Monomers as Potent, Nontoxic, and Selective Modulators of the Breast Cancer Resistance Protein (ABCG2)","year":2021,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Drug Transport and Resistance Mechanisms","field":"Medicine","cited_by":14,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University","funders":"Hong Kong Polytechnic University; Research Grants Council, University Grants Committee","keywords":"Chemistry; Abcg2; Efflux; Mitoxantrone; Pharmacology; Flavonoid; Drug; Structure–activity relationship; Triazole; In vitro; Stereochemistry; Biochemistry; Transporter; ATP-binding cassette transporter; Biology","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":[0.0001047371,0.0002006916,0.0001600335,0.0002188918,0.0001321139,0.0001241641,0.0001737717,0.0002145438,0.00143154],"category_scores_gemma":[0.00008502669,0.00008430579,0.0001563916,0.0001777309,0.00009335703,0.0001537743,0.0001030985,0.0002923161,0.0003437211],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000198406,"about_ca_system_score_gemma":0.0001579413,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004805175,"about_ca_topic_score_gemma":0.001097211,"domain_scores_codex":[0.9999492,0.000009569853,0.000003499617,0.00001141313,0.00001577524,0.00001063352],"domain_scores_gemma":[0.9999665,0.000003672965,0.00000798181,0.000005504191,0.00000798165,0.00000836611],"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":[0.00007081756,0.00006257363,0.0001452097,0.00005420566,0.000005920158,0.0000467294,0.00001496536,0.0001758278,0.992768,0.0002567374,0.0001129274,0.006286103],"study_design_scores_gemma":[0.0000822522,0.0008563013,0.000715429,0.000005848208,0.00002203726,0.0002265633,0.000008099851,0.0004951911,0.9891478,0.00007138219,0.008363315,0.000005782395],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9824271,0.007569698,0.005416722,0.0002290677,0.00004274292,0.0001843377,0.0003723032,0.00009501951,0.00366313],"genre_scores_gemma":[0.9861498,0.00240141,0.008149184,0.00007799939,0.00001631227,0.00007422014,0.0003899914,0.00001366527,0.002727437],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00143154,"threshold_uncertainty_score":0.004789054,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00375173635627309,"score_gpt":0.2251009401772803,"score_spread":0.2213492038210072,"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."}}