{"id":"W2013801985","doi":"10.1021/jm7015733","title":"Structure–Activity Relationships Among the Nitrogen Containing Bisphosphonates in Clinical Use and Other Analogues: Time-Dependent Inhibition of Human Farnesyl Pyrophosphate Synthase","year":2008,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Bone health and treatments","field":"Medicine","cited_by":150,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Knut och Alice Wallenbergs Stiftelse; Karolinska Institutet; Stiftelsen för Strategisk Forskning; Wellcome Trust; Ontario Innovation Trust; Procter and Gamble; Ontario Genomics; Genome Canada; Ontario Genomics Institute; Sanofi; GlaxoSmithKline","keywords":"Chemistry; Isomerization; Stereochemistry; Farnesyl pyrophosphate; Phosphonate; Potency; Enzyme; In vivo; Geminal; ATP synthase; In vitro; Biochemistry; Catalysis","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0009745135,0.0001481686,0.0005209688,0.00006396809,0.0001258128,0.000006937125,0.00005589579,0.0001800895,0.00007059213],"category_scores_gemma":[0.0008333047,0.00009524111,0.0001067361,0.0001320569,0.0003733235,0.0001228554,0.00002108635,0.0009089489,8.358164e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001166551,"about_ca_system_score_gemma":0.0002302363,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000546637,"about_ca_topic_score_gemma":0.00006099564,"domain_scores_codex":[0.9982548,0.0001289843,0.0008539378,0.000152327,0.0004289691,0.000180963],"domain_scores_gemma":[0.9981769,0.0004684645,0.0007643583,0.0001620695,0.0001725243,0.0002557118],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"observational","study_design_gemma":"observational","study_design_scores_codex":[0.001008366,0.0002303471,0.9815356,0.00008377206,0.0001195003,0.0005847286,0.0003582269,0.00000406194,0.01556632,0.000002119477,0.00006329214,0.0004436292],"study_design_scores_gemma":[0.005860012,0.0006585884,0.9111824,0.0007597924,0.0002685414,0.001527586,0.0004687729,0.00007846252,0.07885303,0.0002065325,0.00003788332,0.00009839098],"study_design_candidate":"observational","study_design_consensus":"observational","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9982289,0.001221691,0.000007573266,0.0002449376,0.00004600694,0.0001481371,0.00001410335,0.000006152879,0.00008251901],"genre_scores_gemma":[0.9994706,0.0001553087,0.00007062838,0.0001156872,0.00009571643,0.000002010886,0.000006662394,0.0000153699,0.00006799616],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.07035323,"threshold_uncertainty_score":0.3948981,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.06021964358059333,"score_gpt":0.3218885657469461,"score_spread":0.2616689221663528,"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."}}