{"id":"W2009292442","doi":"10.1016/j.bmc.2003.09.040","title":"1,2,4-Thiadiazole: A novel Cathepsin B inhibitor","year":2003,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry","topic":"Protease and Inhibitor Mechanisms","field":"Biochemistry, Genetics and Molecular Biology","cited_by":81,"is_retracted":false,"has_abstract":false,"ca_institutions":"Apotex (Canada)","funders":"","keywords":"Chemistry; Stereochemistry; Dipeptide; Cathepsin B; Moiety; Pharmacophore; Enzyme inhibitor; Cysteine; Cathepsin; Active site; Thiol; Enzyme; Cathepsin L; Peptide; Biochemistry","routes":{"ca_aff":true,"ca_fund":false,"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":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0003062904,0.0002939566,0.0002165634,0.00002274092,0.0001122281,0.00002101826,0.0002623935,0.0003514051,0.0004735425],"category_scores_gemma":[0.0003895917,0.0002771507,0.0001133275,0.0001603043,0.0001156521,0.000005152964,0.00007569648,0.0002358774,0.00006117455],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0000456571,"about_ca_system_score_gemma":0.0003463344,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0000106495,"about_ca_topic_score_gemma":0.000001841531,"domain_scores_codex":[0.9983782,0.00002805297,0.0003001081,0.0005453717,0.0003019668,0.0004462558],"domain_scores_gemma":[0.9989449,0.000009553715,0.0001094691,0.0005493737,0.00009191243,0.0002948029],"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":[0.00003125975,0.0001216352,0.00009226596,0.00004196191,0.00003521099,0.00001093028,0.00002789652,2.15257e-7,0.9928619,0.000113156,0.006484794,0.0001788341],"study_design_scores_gemma":[0.0009387601,0.000111913,0.00002568645,0.0000406214,0.0000322934,0.0002369676,0.0001354503,0.000003435897,0.9027988,0.00008347058,0.0952923,0.000300335],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9791695,0.003688017,0.002646308,0.0003111284,0.0006238561,0.0002728514,0.00003970866,0.00007214639,0.01317643],"genre_scores_gemma":[0.9949304,0.0000823564,0.0007093149,0.000725724,0.001181965,0.00002902307,0.00009708806,0.0000519057,0.002192215],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.09006307,"threshold_uncertainty_score":0.9999681,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009519695097567116,"score_gpt":0.2199540601080288,"score_spread":0.2104343650104617,"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."}}