{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000404511,0.0001998808,0.0004385198,0.0001816672,0.00006062134,0.000250508,0.0001922875,0.0002103202,0.001130064],"category_scores_gemma":[0.000644655,0.0001175682,0.0001808671,0.0002300318,0.0001954116,0.0001795328,0.00008044508,0.0004114012,0.0001918403],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002295268,"about_ca_system_score_gemma":0.0002069643,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003927098,"about_ca_topic_score_gemma":0.0006908963,"domain_scores_codex":[0.9998455,0.00006690402,0.00001184651,0.00002376091,0.00003018864,0.00002185512],"domain_scores_gemma":[0.999759,0.00009577414,0.00005521477,0.00001336098,0.00002623708,0.00005048839],"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":[0.01810026,0.001842113,0.004172791,0.0004609515,0.0002069911,0.0002644065,0.0001325359,0.003895104,0.8908386,0.0004372101,0.0006538443,0.07899519],"study_design_scores_gemma":[0.002642041,0.1236742,0.06134709,0.00005495715,0.0006281222,0.002617477,0.000146306,0.008971603,0.7815368,0.0003985724,0.01791265,0.00007024287],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9816332,0.01556583,0.0007418293,0.0001188314,0.00003426809,0.00006776753,0.00022569,0.00002248503,0.001589935],"genre_scores_gemma":[0.9946975,0.003469149,0.0007353681,0.00004036309,0.00001656928,0.00002225098,0.0003772355,0.00000465428,0.000636922],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001130064,"threshold_uncertainty_score":0.003780484,"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."}}