{"id":"W2897406382","doi":"10.1021/acs.jmedchem.8b00834","title":"Discovery of Novel Flavonoid Dimers To Reverse Multidrug Resistance Protein 1 (MRP1, ABCC1) Mediated Drug Resistance in Cancers Using a High Throughput Platform with “Click Chemistry”","year":2018,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Click Chemistry and Applications","field":"Chemistry","cited_by":39,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University","funders":"Hong Kong Polytechnic University; Research Grants Council, University Grants Committee; National Natural Science Foundation of China","keywords":"Chemistry; ABCC1; Flavonoid; Multiple drug resistance; Click chemistry; Drug resistance; Drug discovery; Drug; Throughput; Combinatorial chemistry; Computational biology; Pharmacology; Biochemistry; ATP-binding cassette transporter; Gene; Transporter; Computer science; Biology; Antibiotics; 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":[0.0002909478,0.00041132,0.0003027973,0.0002474001,0.0001382392,0.0001817531,0.0002491339,0.0002816289,0.000905705],"category_scores_gemma":[0.0001395569,0.000150411,0.0002841718,0.0001885109,0.0001294363,0.0002714772,0.0001981855,0.0003543065,0.0003145003],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002696354,"about_ca_system_score_gemma":0.0001905799,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002584175,"about_ca_topic_score_gemma":0.0006827387,"domain_scores_codex":[0.999887,0.0000269697,0.000007509714,0.00002359543,0.00003387821,0.00002104332],"domain_scores_gemma":[0.9999635,0.000005347303,0.0000101583,0.000005421978,0.000006157491,0.000009404286],"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":[0.00008264497,0.0001121482,0.0002355005,0.00004354137,0.00001499426,0.00008661184,0.00002290468,0.0004373718,0.990205,0.0003113761,0.0002388116,0.008209071],"study_design_scores_gemma":[0.00007119338,0.001116933,0.0009668427,0.000003148334,0.00002601851,0.0003095772,0.00000907404,0.002164618,0.9913679,0.00007263107,0.003879695,0.00001248239],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9687108,0.002014884,0.02540756,0.0002203408,0.00003616674,0.0003616757,0.000415675,0.0002931827,0.002539785],"genre_scores_gemma":[0.980452,0.001182046,0.01531489,0.0001043011,0.00001336681,0.0001154479,0.0004789178,0.00001510251,0.002323872],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.000905705,"threshold_uncertainty_score":0.003029823,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01682968766940785,"score_gpt":0.2669059142206274,"score_spread":0.2500762265512196,"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."}}