{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003546794,0.0006593924,0.0005690943,0.0003167375,0.0002285574,0.0004919159,0.0008120871,0.0003927796,0.001800537],"category_scores_gemma":[0.0002532966,0.0003117206,0.0002727406,0.0003037589,0.0002527437,0.0004032049,0.0004021058,0.0007762649,0.0008972876],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005396661,"about_ca_system_score_gemma":0.0006097816,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001020379,"about_ca_topic_score_gemma":0.0045407,"domain_scores_codex":[0.9998778,0.00002470456,0.00001109109,0.00001803712,0.00003068592,0.00003771802],"domain_scores_gemma":[0.9999534,0.00000719031,0.00001382207,0.000003642774,0.00001003427,0.00001188083],"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":[0.002443351,0.001281771,0.0009474336,0.002212104,0.0002699164,0.001857153,0.0002527399,0.02704541,0.7866538,0.0202394,0.0163293,0.1404677],"study_design_scores_gemma":[0.003043882,0.00453979,0.001524972,0.0002231809,0.0003186718,0.002666607,0.0001968962,0.02793203,0.815837,0.004376833,0.1391919,0.0001482114],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.755291,0.05424441,0.1281466,0.003040599,0.0007226893,0.002353068,0.004758035,0.001734901,0.04970865],"genre_scores_gemma":[0.9212058,0.02753021,0.03696106,0.0005630919,0.00005371019,0.000465414,0.002555047,0.00006736009,0.01059832],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001800537,"threshold_uncertainty_score":0.006023407,"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."}}