{"id":"W2154867920","doi":"10.1016/j.bmcl.2005.08.001","title":"Synthesis and SAR of highly selective MMP-13 inhibitors","year":2005,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Protease and Inhibitor Mechanisms","field":"Biochemistry, Genetics and Molecular Biology","cited_by":64,"is_retracted":false,"has_abstract":false,"ca_institutions":"Women's Health Research Institute","funders":"","keywords":"Chemistry; Sulfonamide; Matrix metalloproteinase; Aggrecanase; Selectivity; Stereochemistry; Chemical synthesis; Structure–activity relationship; Enzyme inhibitor; Combinatorial chemistry; Carboxamide; Pharmacology; Biochemistry; Enzyme; In vitro","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":[],"consensus_categories":[],"category_scores_codex":[0.0001837566,0.0002317779,0.0002403383,0.00002939247,0.00006233925,0.000008992122,0.0001804168,0.0001938912,0.00006890504],"category_scores_gemma":[0.0001755296,0.0002169998,0.00007900025,0.0001108071,0.0001836371,0.000007534117,0.00009244185,0.0001488605,0.000006955156],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004200633,"about_ca_system_score_gemma":0.00007549495,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002378056,"about_ca_topic_score_gemma":0.000002009002,"domain_scores_codex":[0.9987336,0.00003099542,0.0002919319,0.0004213887,0.0002352999,0.0002867154],"domain_scores_gemma":[0.9993302,0.00002204796,0.0001431783,0.0002892891,0.00005917651,0.0001561184],"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":[0.00006249514,0.00004278687,0.0002380339,0.00006614032,0.0000662105,0.000005393423,0.00005212134,7.520487e-7,0.9909267,0.00000291656,0.006830152,0.001706339],"study_design_scores_gemma":[0.0004272868,0.00006916744,0.0001756735,0.00006931924,0.0000620524,0.00006280094,0.00009485105,0.000008648116,0.9928355,0.000008807072,0.005960373,0.0002254732],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9955832,0.001007266,0.0002000464,0.002486351,0.00007192021,0.0001260001,0.00001854262,0.0000212508,0.0004854347],"genre_scores_gemma":[0.9970092,0.0001180064,0.0004903962,0.001009931,0.00122326,0.00001117903,0.00002535863,0.0000305817,0.00008214882],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001908889,"threshold_uncertainty_score":0.8848995,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.004667706794928407,"score_gpt":0.198694301433209,"score_spread":0.1940265946382806,"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."}}