{"id":"W4389002786","doi":"10.1021/acsomega.3c05839","title":"Synthesis and Evaluation of Ivacaftor Derivatives with Reduced Lipophilicity","year":2023,"lang":"en","type":"article","venue":"ACS Omega","topic":"Cystic Fibrosis Research Advances","field":"Medicine","cited_by":5,"is_retracted":false,"has_abstract":true,"ca_institutions":"Toronto Metropolitan University","funders":"Cystic Fibrosis Canada","keywords":"Ivacaftor; Lipophilicity; Cystic fibrosis transmembrane conductance regulator; Potentiator; Chemistry; Cystic fibrosis; Biophysics; Context (archaeology); Gating; ΔF508; Biochemistry; Pharmacology; Internal medicine; Biology; Medicine","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":[],"consensus_categories":[],"category_scores_codex":[0.0005526046,0.00007184519,0.0001846058,0.0001413861,0.00003771061,0.000007778326,0.00004867785,0.00002808374,0.00001965014],"category_scores_gemma":[0.002738983,0.00005239841,0.00001598855,0.0004582707,0.0001409924,0.00009327896,0.0000425862,0.00006408132,0.00001170457],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0000379179,"about_ca_system_score_gemma":0.0001129275,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002473563,"about_ca_topic_score_gemma":0.000004021847,"domain_scores_codex":[0.9988473,0.0000682769,0.0001229421,0.0001703948,0.0006397163,0.0001513623],"domain_scores_gemma":[0.9989935,0.0004250689,0.00004883165,0.0001982134,0.0002597448,0.00007465485],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"observational","study_design_scores_codex":[0.0006212105,0.00008390826,0.01989366,0.0003040807,0.0001394474,0.000008576252,0.0003844393,0.00004031689,0.9117752,0.00009768087,0.0007828554,0.06586857],"study_design_scores_gemma":[0.0008092776,0.000326277,0.6403377,0.000238355,0.00009774096,0.0000108459,0.0003579838,0.0008569906,0.3561652,0.0004266087,0.0003019098,0.00007106999],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9980364,0.00024294,0.000009982749,0.0007520586,0.000009890159,0.000356563,0.000009455685,0.00004309107,0.0005395713],"genre_scores_gemma":[0.9987203,0.00008425177,0.0009149334,0.00001437864,0.00003913128,0.00007613948,0.000007990677,0.00001218498,0.000130634],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.6204441,"threshold_uncertainty_score":0.3279016,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.05068703014447681,"score_gpt":0.3552950564669664,"score_spread":0.3046080263224895,"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."}}