{"id":"W4414580177","doi":"10.1021/acsomega.4c10834","title":"Quality-by-Design-Driven RP-HPLC Method Development and Validation for Impurity Analysis of Elexacaftor, a Cystic Fibrosis Drug, with LC-MS/MS-Based Degradant Identification","year":2025,"lang":"en","type":"article","venue":"ACS Omega","topic":"Cystic Fibrosis Research Advances","field":"Medicine","cited_by":3,"is_retracted":false,"has_abstract":true,"ca_institutions":"Purdue Pharma (Canada)","funders":"","keywords":"Impurity; Forced degradation; Elution; Analytical Chemistry (journal); Detection limit; High-performance liquid chromatography; Gradient elution; Pharmaceutical formulation","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":[0.001635534,0.0002146803,0.0006693749,0.000694885,0.0001513404,0.00006223813,0.0001609818,0.00007832405,0.000009168845],"category_scores_gemma":[0.001010693,0.0001793381,0.0001072891,0.001408253,0.0001187981,0.0001542346,0.00004735752,0.0001216745,0.000001775317],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002436666,"about_ca_system_score_gemma":0.0004523007,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001999973,"about_ca_topic_score_gemma":0.00006200384,"domain_scores_codex":[0.9975354,0.0003000266,0.0007051994,0.0005347268,0.0006094004,0.0003152273],"domain_scores_gemma":[0.9966871,0.001909435,0.0003101601,0.0004584061,0.0004986088,0.0001363294],"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":[0.004345816,0.0007132698,0.0361698,0.00269066,0.003332447,0.000003868489,0.0005727584,0.001907332,0.9140291,0.0009181156,0.002215078,0.03310179],"study_design_scores_gemma":[0.002924039,0.0003552653,0.142785,0.0003162064,0.001839916,0.00000152285,0.0002184743,0.0140303,0.8327034,0.0004034121,0.004129746,0.0002927632],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.4837561,0.0003120738,0.5146629,0.0003102002,0.00001271731,0.000814646,0.00008036062,0.00003136448,0.00001959127],"genre_scores_gemma":[0.695135,0.00001927766,0.3035676,0.00004379972,0.00001018607,0.0002854,0.0004576295,0.00001533389,0.0004657072],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.2113789,"threshold_uncertainty_score":0.7313197,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02831580635329012,"score_gpt":0.3699357388240723,"score_spread":0.3416199324707822,"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."}}