{"id":"W4385684544","doi":"10.1021/acs.molpharmaceut.3c00261","title":"Enhancing the Drug-Like Profile of a Potent Peptide PACE4 Inhibitor by the Formation of a Host–Guest Inclusion Complex with β-Cyclodextrin","year":2023,"lang":"en","type":"article","venue":"Molecular Pharmaceutics","topic":"Chemical Synthesis and Analysis","field":"Biochemistry, Genetics and Molecular Biology","cited_by":3,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Sherbrooke","funders":"Canadian Institutes of Health Research","keywords":"Peptidomimetic; Drug; Cyclodextrin; Chemistry; In vitro; Peptide; Drug repositioning; Potency; Enzyme; Prostate cancer; Pharmacology; Biochemistry; Combinatorial chemistry; Medicine; Cancer; Internal 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":[0.0001396202,0.0002723664,0.0002299746,0.0001148452,0.00008774097,0.0002654101,0.0001372846,0.0001800981,0.0004500251],"category_scores_gemma":[0.0001491735,0.00009970339,0.0001114546,0.00009736781,0.0001347796,0.0001361877,0.0001373307,0.0002798759,0.00014347],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002013283,"about_ca_system_score_gemma":0.000122543,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002260366,"about_ca_topic_score_gemma":0.0001962988,"domain_scores_codex":[0.9999216,0.00001508006,0.000007605792,0.00002245347,0.00001786405,0.00001537776],"domain_scores_gemma":[0.9999429,0.0000133339,0.00001911743,0.000004818409,0.000006349628,0.00001357699],"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":[0.0001160589,0.00003945559,0.00009165672,0.00003410203,0.000007765918,0.00003702634,0.00001121961,0.0002665581,0.9979311,0.00009804068,0.00003614507,0.001330765],"study_design_scores_gemma":[0.00001414821,0.0002223973,0.0003495854,0.000001610379,0.000008658706,0.00005575129,0.000002767956,0.0008540064,0.9975826,0.000006658027,0.0008988745,0.000002999248],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9948657,0.0007989019,0.003200642,0.00004051834,0.00001551215,0.0000411718,0.00008504895,0.00005426283,0.0008981242],"genre_scores_gemma":[0.9968555,0.0003193708,0.002079988,0.00001955883,0.000004498922,0.00002170427,0.00006239851,0.00001097099,0.0006260394],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0004500251,"threshold_uncertainty_score":0.001505435,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01377294112939274,"score_gpt":0.2717410654934415,"score_spread":0.2579681243640488,"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."}}