{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001276603,0.0003640148,0.0002529077,0.0002406713,0.0001191832,0.0002054107,0.0002759424,0.0002950153,0.001009534],"category_scores_gemma":[0.0001822592,0.000112486,0.0002626567,0.000228413,0.0001466963,0.0002183482,0.0001469572,0.0004430807,0.0002691921],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003202244,"about_ca_system_score_gemma":0.0002245679,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006003793,"about_ca_topic_score_gemma":0.0006482935,"domain_scores_codex":[0.99993,0.00001271177,0.000009757428,0.0000132224,0.00001588756,0.00001843779],"domain_scores_gemma":[0.9999381,0.0000066919,0.0000200881,0.00000616519,0.0000132654,0.00001561988],"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":[0.0005222625,0.0001820886,0.000152505,0.0002347557,0.0000251935,0.0002218721,0.0000461084,0.001336685,0.9833816,0.0004000325,0.00024263,0.0132543],"study_design_scores_gemma":[0.000242808,0.003618082,0.0009887306,0.00002496847,0.00006136719,0.0003712589,0.00003243515,0.0008981344,0.9837135,0.00009816245,0.009927069,0.00002350618],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9856334,0.004536931,0.004709818,0.0001616058,0.00004691682,0.0002373534,0.001056113,0.0001030677,0.003514749],"genre_scores_gemma":[0.988804,0.003151306,0.005000907,0.00008064304,0.0000127624,0.00009964051,0.0007341277,0.00002426785,0.002092269],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001009534,"threshold_uncertainty_score":0.003377199,"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."}}