{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0005101086,0.00093018,0.001161549,0.0004949334,0.0004539121,0.001021613,0.0007092028,0.0007021102,0.006752607],"category_scores_gemma":[0.0008334964,0.0003130226,0.001313401,0.0006524776,0.0002364828,0.000601325,0.0004144797,0.0009986283,0.001223526],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001014139,"about_ca_system_score_gemma":0.001356839,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003668092,"about_ca_topic_score_gemma":0.009562158,"domain_scores_codex":[0.9998218,0.00002296121,0.000008647435,0.00004952233,0.00005630512,0.00004072073],"domain_scores_gemma":[0.9998092,0.00008746676,0.00003486667,0.00001360838,0.00003536164,0.00001943753],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.006057563,0.002310985,0.009883693,0.004185192,0.0008816858,0.002083175,0.0001764997,0.4532386,0.2920022,0.02865579,0.03354227,0.1669823],"study_design_scores_gemma":[0.001431248,0.004037765,0.00259454,0.00009912594,0.0004728155,0.0005788394,0.00018345,0.7768956,0.1755387,0.007153357,0.03090028,0.0001143761],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8706542,0.01015761,0.05575316,0.002025223,0.0002915457,0.0006583311,0.01464578,0.003348419,0.04246569],"genre_scores_gemma":[0.9200213,0.004610812,0.05000571,0.0003913061,0.00003561967,0.0004278816,0.01559341,0.0004091699,0.008504798],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.006752607,"threshold_uncertainty_score":0.02258974,"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."}}