{"id":"W4312537871","doi":"10.1039/d2md00378c","title":"The war on hTG2: warhead optimization in small molecule human tissue transglutaminase inhibitors","year":2022,"lang":"en","type":"article","venue":"RSC Medicinal Chemistry","topic":"Blood properties and coagulation","field":"Medicine","cited_by":14,"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":"Warhead; Tissue transglutaminase; Small molecule; Chemistry; Cell biology; In vitro; Hep G2; Biophysics; Biochemistry; Enzyme; Biology","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":[0.0004162081,0.0007113632,0.000362861,0.0001780449,0.0002672203,0.0004072597,0.0003360099,0.0004382937,0.003457744],"category_scores_gemma":[0.0003305839,0.0001747657,0.000302683,0.0002152008,0.000341119,0.0006597372,0.0005689923,0.0009213635,0.0007244635],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003407274,"about_ca_system_score_gemma":0.0002901182,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005504613,"about_ca_topic_score_gemma":0.001127573,"domain_scores_codex":[0.999826,0.0000299167,0.000009158391,0.00004715524,0.0000405243,0.00004719664],"domain_scores_gemma":[0.9998926,0.00002387497,0.0000306668,0.00001574095,0.00001751494,0.00001963714],"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":[0.001290046,0.0001898178,0.0005344611,0.0004183595,0.00007050162,0.0004782571,0.0001682247,0.01047132,0.9360887,0.006696571,0.001885788,0.04170797],"study_design_scores_gemma":[0.0001366211,0.002698108,0.0006610513,0.0000437862,0.00006302194,0.0003258424,0.00006515183,0.007764721,0.9663593,0.00202444,0.01981597,0.00004205797],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8667516,0.01149767,0.1032599,0.001150883,0.0003059059,0.000341938,0.000655467,0.0005884973,0.01544823],"genre_scores_gemma":[0.9697998,0.00640294,0.01675858,0.0004367206,0.00004049096,0.0001297152,0.000339066,0.0001071647,0.005985558],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003457744,"threshold_uncertainty_score":0.01156735,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01566547913342867,"score_gpt":0.2486297223571974,"score_spread":0.2329642432237687,"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."}}