{"id":"W2559408543","doi":"10.1107/s2053273314095059","title":"Conformation-independent structural comparison of macromolecules with ProSMART","year":2014,"lang":"en","type":"article","venue":"Acta Crystallographica Section A Foundations and Advances","topic":"Genomics and Phylogenetic Studies","field":"Biochemistry, Genetics and Molecular Biology","cited_by":6,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"","keywords":"Structural alignment; Macromolecule; Biological system; Structural bioinformatics; Protein structure; Structural similarity; Computer science; Side chain; Sequence alignment; Computational biology; Crystallography; Algorithm; Chemistry; Artificial intelligence; Biology; Peptide sequence","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":[0.003826764,0.002429269,0.002007736,0.002843141,0.001566371,0.002537692,0.004050327,0.002126246,0.03568047],"category_scores_gemma":[0.005782617,0.001615892,0.001963864,0.001869185,0.0008529693,0.004432082,0.00372781,0.003411107,0.01050143],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007431025,"about_ca_system_score_gemma":0.00109658,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004886995,"about_ca_topic_score_gemma":0.0006608258,"domain_scores_codex":[0.9986052,0.0003096142,0.0001461279,0.0002717012,0.0005253849,0.0001420314],"domain_scores_gemma":[0.9979581,0.001006858,0.0002621675,0.0003451468,0.0002809244,0.0001468168],"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":[0.007651671,0.001346363,0.009923193,0.008759518,0.0016073,0.003266518,0.003456566,0.03544077,0.3723415,0.06722524,0.1756203,0.3133611],"study_design_scores_gemma":[0.0006931589,0.001977483,0.01243668,0.0006983253,0.0004988867,0.003231929,0.0006422758,0.3988676,0.2048729,0.03093485,0.3444906,0.0006553578],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"methods","genre_gemma":"methods","genre_scores_codex":[0.2043315,0.00248011,0.5621817,0.0009535342,0.001021037,0.0006572027,0.02182928,0.1881768,0.0183688],"genre_scores_gemma":[0.2252308,0.002090092,0.6544866,0.0006162946,0.0002035689,0.001815274,0.05332017,0.05585734,0.006379896],"genre_candidate":"methods","genre_consensus":"methods","teacher_disagreement_score":0.03568047,"threshold_uncertainty_score":0.1193631,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006729927498607485,"score_gpt":0.2504829146874736,"score_spread":0.2437529871888661,"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."}}