{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001442468,0.0001319406,0.000345796,0.00006040797,0.00004628073,0.00000212415,0.00007907798,0.0001756334,0.0001958702],"category_scores_gemma":[0.0001047051,0.0001150657,0.00007315218,0.0003183404,0.0001398822,0.00003041443,0.00002223994,0.000314054,9.519163e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0000495955,"about_ca_system_score_gemma":0.000211193,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001257919,"about_ca_topic_score_gemma":0.000006693891,"domain_scores_codex":[0.9990767,0.00003006866,0.000318641,0.0001966348,0.0002396908,0.0001382374],"domain_scores_gemma":[0.9993221,0.00005984195,0.0001325075,0.0002826911,0.000118381,0.0000845506],"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":[0.0002750907,0.0001100233,0.005015689,0.001689213,0.00006331188,0.000009430728,0.000196904,0.00001588207,0.989942,0.00002029685,0.0001576752,0.002504536],"study_design_scores_gemma":[0.001149124,0.0001221551,0.008296768,0.0005670459,0.0003112756,0.00002122821,0.0002256539,0.0002584078,0.9885291,0.00009264632,0.0003461506,0.00008046779],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9916055,0.0009918227,0.0002430444,0.0005148638,0.00007442955,0.0001840609,0.00001214776,0.00001969988,0.00635446],"genre_scores_gemma":[0.9976631,0.00001949587,0.0002363186,0.00003931268,0.00007215645,0.00000395439,0.00002781995,0.00001020702,0.001927625],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.006057639,"threshold_uncertainty_score":0.4692245,"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."}}