{"id":"W4416108242","doi":"10.1039/d5md00815h","title":"Structure–activity relationships of hydrophobic small molecule irreversible inhibitors of tissue transglutaminase","year":2025,"lang":"en","type":"article","venue":"RSC Medicinal Chemistry","topic":"Blood properties and coagulation","field":"Medicine","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Ottawa","funders":"Natural Sciences and Engineering Research Council of Canada; Canadian Institutes of Health Research","keywords":"Tissue transglutaminase; Small molecule; Enzyme; Membrane; Molecule; Structure–activity relationship; Enzyme inhibitor","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":[0.0002580615,0.0003147427,0.0002814157,0.0002432939,0.0001123085,0.0002070517,0.0003593697,0.000203873,0.005134723],"category_scores_gemma":[0.000360412,0.00013846,0.000289203,0.000192969,0.0001354226,0.0002571371,0.00013553,0.0005629666,0.000558955],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003287989,"about_ca_system_score_gemma":0.0001473198,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0009868287,"about_ca_topic_score_gemma":0.001032944,"domain_scores_codex":[0.9998852,0.00002630253,0.000006827222,0.00001889596,0.00002240751,0.00004034541],"domain_scores_gemma":[0.9998481,0.00004988493,0.00004311141,0.000008962847,0.0000225919,0.00002725691],"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":[0.003504163,0.000806508,0.001090877,0.0004512012,0.0002144488,0.0003121652,0.00007505668,0.01320185,0.9453211,0.002156166,0.001947698,0.03091878],"study_design_scores_gemma":[0.0005724208,0.01759247,0.006647718,0.00005227733,0.0002835199,0.0005492494,0.00006959467,0.02929981,0.9284846,0.0006826809,0.01569584,0.00006962441],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9715385,0.01898605,0.002711152,0.0001960889,0.00009054731,0.00005224727,0.0005682342,0.00006442478,0.005792759],"genre_scores_gemma":[0.9899131,0.005861609,0.0006865593,0.0000840173,0.00002244059,0.00001900167,0.0006504513,0.00000793143,0.002754919],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005134723,"threshold_uncertainty_score":0.0171774,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01656103817649725,"score_gpt":0.2471915044099624,"score_spread":0.2306304662334652,"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."}}