{"id":"W169227635","doi":"","title":"Metabolomics and biochemical profiling in drug discovery and development.","year":2002,"lang":"en","type":"article","venue":"PubMed","topic":"Metabolomics and Mass Spectrometry Studies","field":"Biochemistry, Genetics and Molecular Biology","cited_by":87,"is_retracted":false,"has_abstract":true,"ca_institutions":"dPoint Technologies (Canada)","funders":"","keywords":"Metabolomics; Drug discovery; Metabolite profiling; Drug development; Profiling (computer programming); Medicine; Drug; Computational biology; Metabolite; Bioinformatics; Pharmacology; Biology; Computer science; Internal medicine","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":[0.0001760265,0.0001124362,0.0001495087,0.0000555734,0.00004250298,0.00003338186,0.00005713799,0.00005544082,0.000001610666],"category_scores_gemma":[0.00008552631,0.0001012632,0.00001576242,0.00006489749,0.00006659661,0.000006183808,0.0001631332,0.00006344107,5.721334e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000007386654,"about_ca_system_score_gemma":0.00000568714,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000004527737,"about_ca_topic_score_gemma":0.0000143437,"domain_scores_codex":[0.9992383,0.00001734809,0.0001497926,0.0002903053,0.00005471768,0.0002495118],"domain_scores_gemma":[0.9997857,0.000009636574,0.00003372016,0.0001000353,0.00001157764,0.00005935208],"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":[0.0001985815,0.0004073798,0.2916352,0.0001944501,0.0004864873,0.0000171562,0.0006020931,0.000003448386,0.5198581,0.00330342,0.00464977,0.1786439],"study_design_scores_gemma":[0.00149485,0.00001755682,0.2576835,0.000004990356,0.00002585699,0.00002128049,0.0002082512,0.00003273215,0.6717077,0.0001690105,0.06814606,0.0004881695],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.985212,0.01346418,0.00005053702,0.0001386289,0.00005637737,0.0002188987,0.0000048889,0.000005226824,0.0008493109],"genre_scores_gemma":[0.9937478,0.003207584,0.001922435,0.000102226,0.00005820758,0.0002096645,0.00001206269,0.00001031595,0.000729737],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1781558,"threshold_uncertainty_score":0.4129395,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01595844386976032,"score_gpt":0.1983094840431485,"score_spread":0.1823510401733882,"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."}}