{"id":"W4403638937","doi":"10.1103/physrevx.14.041019","title":"Computationally Driven Discovery and Characterization of SIRT3-Activating Compounds that Fully Recover Catalytic Activity under <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" display=\"inline\"> <mml:mrow> <mml:msup> <mml:mrow> <mml:mi>NAD</mml:mi> </mml:mrow> <mml:mo>+</mml:mo> </mml:msup> </mml:mrow> </mml:math> Depletion","year":2024,"lang":"en","type":"article","venue":"Physical Review X","topic":"Sirtuins and Resveratrol in Medicine","field":"Medicine","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University","funders":"","keywords":"Computer science; Characterization (materials science); Combinatorial chemistry; Chemistry; Materials science; Nanotechnology","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":["metaepi_narrow","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0007649458,0.0004993684,0.0004334059,0.0001902263,0.0004557598,0.000417788,0.0004670458,0.0005255112,0.003380482],"category_scores_gemma":[0.000737834,0.0006565785,0.0008330577,0.0006324035,0.0006731019,0.001140033,0.000527997,0.000965016,0.0002584962],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002660638,"about_ca_system_score_gemma":0.0006810452,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003263982,"about_ca_topic_score_gemma":0.00007887241,"domain_scores_codex":[0.9955215,0.0002138405,0.0009408784,0.0009908982,0.001532585,0.0008003249],"domain_scores_gemma":[0.9965478,0.001175896,0.0009116442,0.0008011909,0.0001353044,0.0004282063],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0007071508,0.0004495529,0.0000506843,0.005934997,0.00112247,0.0003518685,0.0007962527,0.0004170382,0.03973318,0.9383249,0.005161776,0.006950162],"study_design_scores_gemma":[0.001942029,0.001955557,0.004119357,0.009397761,0.002467892,0.001106949,0.0005133878,0.6822909,0.2921279,0.000287602,0.002710388,0.001080228],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9733936,0.001726744,0.002670237,0.001770749,0.0008658146,0.0000915466,0.0001570435,0.0001233489,0.01920095],"genre_scores_gemma":[0.990573,0.00348601,0.0005769335,0.001473405,0.001624918,0.0003426239,0.001564212,0.0002548411,0.0001040498],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.9380373,"threshold_uncertainty_score":0.9995885,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02220562002856565,"score_gpt":0.2745976255709448,"score_spread":0.2523920055423792,"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."}}