{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003803397,0.0001489541,0.0001743767,0.00003365082,0.0001671286,0.00001320076,0.0002712252,0.00005745415,0.000008373397],"category_scores_gemma":[0.00004180555,0.00008747888,0.0001398953,0.0003331745,0.0001327028,0.000004682766,0.0004944892,0.0001082104,0.000003551482],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001584253,"about_ca_system_score_gemma":0.00003155276,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00003351727,"about_ca_topic_score_gemma":0.00002421489,"domain_scores_codex":[0.9988346,0.0001140143,0.0003149467,0.0001913563,0.0003353548,0.0002097869],"domain_scores_gemma":[0.9992566,0.00003811906,0.0002105261,0.0003277079,0.000116306,0.00005079931],"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":[0.00005667623,0.00005918665,0.00006268743,0.00006137407,0.00007568319,0.000001943102,0.0002458664,0.00008716193,0.9944519,0.000005252359,0.003688624,0.001203646],"study_design_scores_gemma":[0.0003730459,0.00004867122,0.00003658327,0.00004224027,0.0001091495,0.000005098837,0.0002765619,0.002443593,0.9679434,0.000007384988,0.02860018,0.000114093],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9949987,0.0008393456,0.002539114,0.0009679238,0.00004095274,0.0003129884,0.00006006266,0.00001324104,0.0002276948],"genre_scores_gemma":[0.9987422,0.0002962733,0.0001664102,0.0003071249,0.00005740912,0.00002933862,0.0002029701,0.00002157844,0.0001767034],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0265085,"threshold_uncertainty_score":0.3567285,"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."}}