{"id":"W2032239270","doi":"10.1002/poc.794","title":"Structure and reactions of the peroxy radicals of glycine and alanine in peptides: an <i>ab initio</i> study","year":2004,"lang":"en","type":"article","venue":"Journal of Physical Organic Chemistry","topic":"Free Radicals and Antioxidants","field":"Chemistry","cited_by":17,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"","keywords":"Chemistry; Radical; Ab initio; Stereochemistry; Ab initio quantum chemistry methods; Alanine; Amino acid; Molecule; Organic chemistry","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":[0.0001012506,0.0001415475,0.0004265255,0.0000175391,0.00003659758,0.00001220943,0.0002034014,0.00008354252,0.0001601512],"category_scores_gemma":[0.0001571583,0.00009562651,0.00007879429,0.000152598,0.0002266033,0.0001088919,0.00006613597,0.000472234,9.701009e-8],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003916324,"about_ca_system_score_gemma":0.000105539,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002457833,"about_ca_topic_score_gemma":0.000008992767,"domain_scores_codex":[0.9988971,0.00001654315,0.0005121088,0.0001458112,0.0003043658,0.0001240677],"domain_scores_gemma":[0.9990703,0.00007755317,0.0004371507,0.0002157259,0.00007807443,0.0001211646],"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":[0.00004126599,0.0009442519,0.00640938,0.0002100405,0.00005350333,0.00001523352,0.0004801381,0.00001388842,0.9915784,0.00002175336,0.00001062408,0.0002214977],"study_design_scores_gemma":[0.002636397,0.0001564812,0.01718296,0.0003658275,0.00009023524,0.000230105,0.001117665,0.00002286269,0.9770929,0.000962844,0.0000346527,0.0001070777],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.999421,0.0001559774,0.000002269626,0.0001960373,0.00001459454,0.00003510079,0.00002597824,0.000004041279,0.0001450237],"genre_scores_gemma":[0.9995835,0.00005372904,0.00005000983,0.000014699,0.0002476225,3.92054e-7,0.000001404371,0.00001542894,0.00003320258],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01448553,"threshold_uncertainty_score":0.3899536,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005905070720271136,"score_gpt":0.2317714093317121,"score_spread":0.225866338611441,"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."}}