{"id":"W2176122237","doi":"10.1002/chin.200450161","title":"Rational Design of Potent and Selective NH‐Linked Aryl/Heteroaryl Cathepsin K Inhibitors.","year":2004,"lang":"en","type":"article","venue":"ChemInform","topic":"Bone Metabolism and Diseases","field":"Biochemistry, Genetics and Molecular Biology","cited_by":1,"is_retracted":false,"has_abstract":false,"ca_institutions":"Merck Canada Inc. (Canada)","funders":"","keywords":"Chemistry; Stereochemistry","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":[0.00007920928,0.0001056136,0.0001098035,0.00002422829,0.00003779441,0.000009662131,0.00006165409,0.00008555769,0.000005229952],"category_scores_gemma":[0.00006840453,0.00009520758,0.00004935033,0.0000492331,0.00009052306,0.000007243905,0.00004944313,0.00003747397,0.000002693724],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001098198,"about_ca_system_score_gemma":0.0001401466,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001585382,"about_ca_topic_score_gemma":0.000001755718,"domain_scores_codex":[0.9994746,8.59567e-7,0.0001584413,0.0001503705,0.00009249466,0.000123239],"domain_scores_gemma":[0.9996513,0.000008175403,0.00006634434,0.000128028,0.00007235042,0.0000738393],"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":[0.0003713759,0.0001595326,0.0003968796,0.00004875574,0.00007058783,0.0000021635,0.0003187642,0.0001093667,0.9758026,0.0002422156,0.003653867,0.01882387],"study_design_scores_gemma":[0.0008069029,0.0001033208,0.003917152,0.00001030727,0.00002144114,0.00001074927,0.00004482966,0.000005912641,0.9933758,0.0003611651,0.001221846,0.0001205668],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9866211,0.002773004,0.0008753134,0.0001228618,0.0001149122,0.0003504229,0.00005242185,0.00001820463,0.009071758],"genre_scores_gemma":[0.9985949,0.0001345602,0.0006187095,0.0001310081,0.0001225851,0.00001619971,0.0001132804,0.000008752756,0.0002600338],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0187033,"threshold_uncertainty_score":0.3882453,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00961966555272042,"score_gpt":0.2186586851274993,"score_spread":0.2090390195747789,"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."}}