{"id":"W2316288830","doi":"10.1021/jm3004398","title":"Chalcogenopyrylium Compounds as Modulators of the ATP-Binding Cassette Transporters P-Glycoprotein (P-gp/<i>ABCB1</i>) and Multidrug Resistance Protein 1 (MRP1/<i>ABCC1</i>)","year":2012,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Drug Transport and Resistance Mechanisms","field":"Medicine","cited_by":45,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto; Queen's University","funders":"National Institute of General Medical Sciences; Canadian Institutes of Health Research","keywords":"Chemistry; P-glycoprotein; Thioamide; ABCC1; ATP-binding cassette transporter; Amide; Lipophilicity; Multiple drug resistance; Stereochemistry; Substituent; Structure–activity relationship; Transporter; In vitro; Biochemistry","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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.001155784,0.0003793188,0.0008880536,0.00009540898,0.0001605165,0.00001227197,0.0003368552,0.0002524167,0.00009663423],"category_scores_gemma":[0.00009402481,0.0002496622,0.0003718598,0.0003207728,0.0004177194,0.0002060602,0.00002760086,0.0009405069,0.000001842302],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001565568,"about_ca_system_score_gemma":0.0003036459,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002089865,"about_ca_topic_score_gemma":0.000006292013,"domain_scores_codex":[0.9966494,0.00004510075,0.001124327,0.0002576472,0.001356983,0.0005665445],"domain_scores_gemma":[0.9976958,0.00005156104,0.0009976905,0.0004281152,0.0002590427,0.0005677709],"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":[0.001109891,0.0002551199,0.01365675,0.00150421,0.0002262611,0.0002308554,0.001755378,0.00000186225,0.980709,0.00004750994,0.0002562696,0.000246857],"study_design_scores_gemma":[0.003982224,0.0001676643,0.01246484,0.003520567,0.0006318392,0.001365644,0.001845892,0.0000108702,0.9678318,0.0001018727,0.007773478,0.0003033004],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9908824,0.003666785,0.0001729361,0.002687464,0.0003876195,0.0004599045,0.00002244713,0.00002005013,0.001700395],"genre_scores_gemma":[0.9949514,0.0001357675,0.001291412,0.0002142681,0.0007245776,0.00001095307,0.000008364694,0.00005440716,0.002608854],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01287722,"threshold_uncertainty_score":0.9999956,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008086474356818236,"score_gpt":0.2279049550999948,"score_spread":0.2198184807431766,"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."}}