{"id":"W2145664842","doi":"10.1186/1471-2105-13-s3-s4","title":"Combining automated peak tracking in SAR by NMR with structure-based backbone assignment from 15N-NOESY","year":2012,"lang":"en","type":"article","venue":"BMC Bioinformatics","topic":"Protein Structure and Dynamics","field":"Biochemistry, Genetics and Molecular Biology","cited_by":17,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Waterloo","funders":"Natural Sciences and Engineering Research Council of Canada; Mitacs","keywords":"Two-dimensional nuclear magnetic resonance spectroscopy; Biological system; Computer science; Drug discovery; Chemistry; Algorithm; Stereochemistry; Biology","routes":{"ca_aff":true,"ca_fund":true,"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":[0.004239646,0.002025104,0.001698383,0.001745376,0.0007314859,0.001468673,0.002132309,0.001590086,0.002152591],"category_scores_gemma":[0.005023346,0.001000606,0.001118705,0.001272437,0.0007227241,0.002534672,0.001721182,0.001950417,0.001552474],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008148017,"about_ca_system_score_gemma":0.002133531,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002001425,"about_ca_topic_score_gemma":0.003289441,"domain_scores_codex":[0.9988288,0.0002891163,0.00006809594,0.0004144419,0.0003009619,0.00009850036],"domain_scores_gemma":[0.997505,0.001210198,0.0003392451,0.0004058523,0.0004014688,0.0001383119],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"design_other","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.001226274,0.0006775907,0.004274291,0.0006535513,0.0004084074,0.0002556024,0.0002511826,0.1797842,0.1524033,0.003006881,0.0083431,0.6487156],"study_design_scores_gemma":[0.00006690477,0.0001578096,0.0008214541,0.00001740317,0.00004634791,0.0001230984,0.00004101039,0.9287267,0.0633374,0.004164062,0.002422349,0.00007539786],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"methods","genre_scores_codex":[0.03488652,0.0003531858,0.9461618,0.0001890921,0.00006171264,0.00009218319,0.0002242519,0.01720973,0.0008216535],"genre_scores_gemma":[0.07723912,0.0001930623,0.9200527,0.0001307983,0.00003520414,0.00009925226,0.000566059,0.001079196,0.0006046182],"genre_candidate":"methods","genre_consensus":"methods","teacher_disagreement_score":0.004239646,"threshold_uncertainty_score":0.02242166,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007970372992195376,"score_gpt":0.2326558932292477,"score_spread":0.2246855202370523,"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."}}