{"id":"W4413966508","doi":"10.1021/acsomega.5c06776","title":"Modeling Chelator Substituent Effects as Therapeutic Targets in Neurodegenerative Diseases","year":2025,"lang":"en","type":"article","venue":"ACS Omega","topic":"Biochemical Acid Research Studies","field":"Biochemistry, Genetics and Molecular Biology","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"Cascades (Canada)","funders":"National Science Foundation","keywords":"Substituent; Chelation; Pharmacology; Medicine; Chemistry; Stereochemistry","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":[0.0001469326,0.0003518602,0.0002354961,0.0001130533,0.0001162296,0.0002563088,0.0003468263,0.0003506164,0.001469443],"category_scores_gemma":[0.000173271,0.0001089806,0.000187497,0.0001069554,0.0001815707,0.0003217634,0.0002017949,0.0002566852,0.0003249993],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000217758,"about_ca_system_score_gemma":0.0002655078,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0008589613,"about_ca_topic_score_gemma":0.001033482,"domain_scores_codex":[0.9999601,0.0000123095,0.000001346809,0.000007911477,0.00001068177,0.000007703535],"domain_scores_gemma":[0.9999702,0.00001474542,0.000006199709,0.000002483096,0.000003526829,0.000002791631],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0004237475,0.0002852162,0.002161726,0.0008145485,0.00006407932,0.0005224022,0.0001641948,0.3987577,0.5136128,0.04019065,0.001372431,0.04163038],"study_design_scores_gemma":[0.0001127437,0.001690242,0.001567517,0.00006778779,0.000120086,0.0002457213,0.0001238515,0.7633787,0.2005574,0.01459835,0.01749822,0.00003933796],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8758544,0.006211217,0.0936632,0.000593296,0.00007249421,0.0001220395,0.0004548704,0.0003236508,0.0227049],"genre_scores_gemma":[0.9675012,0.004177327,0.02501759,0.0001167261,0.00001496906,0.00009226317,0.0001895287,0.00003516194,0.002855209],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001469443,"threshold_uncertainty_score":0.004915774,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007596717670814087,"score_gpt":0.28045077415625,"score_spread":0.2728540564854359,"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."}}