{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00007180859,0.0001602646,0.0001631114,0.00006428647,0.00007570467,0.00002210992,0.0001993822,0.0001016923,0.000001628043],"category_scores_gemma":[0.0003321858,0.000135254,0.00006400375,0.0001820645,0.00008801957,0.000004043411,0.0002441717,0.0001405535,0.00001038916],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000027636,"about_ca_system_score_gemma":0.00008611811,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002258492,"about_ca_topic_score_gemma":0.00002087323,"domain_scores_codex":[0.9989683,0.00007108992,0.0001441378,0.0003822241,0.0001322832,0.0003019781],"domain_scores_gemma":[0.9995626,0.00003222678,0.00001674207,0.0002498054,0.00007020857,0.0000683795],"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":[0.0001593117,0.0001514605,0.002940397,0.00007406832,0.0001155644,0.00001156662,0.00003951345,0.000714825,0.9933599,0.0005569243,0.0005920329,0.001284455],"study_design_scores_gemma":[0.0007189497,0.0001411376,0.002515829,0.00003887453,0.00002291254,9.431876e-7,0.00003426676,0.001571432,0.9920188,0.001098128,0.001646019,0.0001927041],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.974264,0.02346082,0.000826766,0.0004987725,0.0001234091,0.0002809074,0.000008299567,0.00001562972,0.000521421],"genre_scores_gemma":[0.9976828,0.0008155635,0.00006358253,0.0008050129,0.00007575286,0.0001141555,0.00004304948,0.00001227242,0.0003878736],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02341876,"threshold_uncertainty_score":0.5515497,"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."}}