{"id":"W2093330381","doi":"10.1002/qua.947","title":"Toward a computed peptide structure database: The role of a universal atomic numbering system of amino acids in peptides and internal hierarchy of database","year":2002,"lang":"en","type":"article","venue":"International Journal of Quantum Chemistry","topic":"Chemical Synthesis and Analysis","field":"Biochemistry, Genetics and Molecular Biology","cited_by":58,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"","keywords":"Numbering; Hierarchy; Database; Maxima and minima; Computer science; Peptide; Chemistry; Mathematics; Programming language","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":[0.004037905,0.0002650859,0.0009239017,0.002768561,0.0008766384,0.003326066,0.001860375,0.000446383,0.002120081],"category_scores_gemma":[0.008777569,0.0003848702,0.0003987884,0.003146567,0.001049775,0.003248421,0.001734238,0.001088466,0.0007969869],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001276536,"about_ca_system_score_gemma":0.002999167,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002095355,"about_ca_topic_score_gemma":0.001872316,"domain_scores_codex":[0.9986886,0.0003401778,0.0002556879,0.0002469228,0.0003845269,0.00008404732],"domain_scores_gemma":[0.9962603,0.0006165259,0.000206852,0.001642938,0.001007571,0.0002657667],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"design_other","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.0008782352,0.0003262656,0.0149615,0.0007244436,0.0001114611,0.0003453687,0.001065553,0.03829239,0.05845877,0.4003777,0.01663866,0.4678197],"study_design_scores_gemma":[0.000366979,0.0004511763,0.005262778,0.0005845574,0.0002391056,0.0006294044,0.0007470638,0.5620732,0.1130563,0.2134518,0.1029623,0.0001753893],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"methods","genre_scores_codex":[0.08472303,0.0007520697,0.9015543,0.0006708605,0.00007689605,0.0002304941,0.002267692,0.004831098,0.004893466],"genre_scores_gemma":[0.1373549,0.000381952,0.8575047,0.0001338594,0.00002558033,0.0001912993,0.003350605,0.0003410132,0.0007159975],"genre_candidate":"methods","genre_consensus":"methods","teacher_disagreement_score":0.004037905,"threshold_uncertainty_score":0.02135473,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00929567640057338,"score_gpt":0.226221518490885,"score_spread":0.2169258420903116,"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."}}