{"id":"W2129913478","doi":"10.1007/s10858-015-9957-0","title":"Accessible surface area from NMR chemical shifts","year":2015,"lang":"en","type":"article","venue":"Journal of Biomolecular NMR","topic":"Protein Structure and Dynamics","field":"Biochemistry, Genetics and Molecular Biology","cited_by":8,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Alberta","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Chemical shift; Surface (topology); Nuclear magnetic resonance spectroscopy; Chemical physics; Nuclear magnetic resonance; Computational chemistry; Stereochemistry; Physical chemistry; Physics; Geometry","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002500521,0.0001862509,0.000255358,0.00004644967,0.0000285886,0.000057109,0.0004437382,0.0002417758,0.00001812469],"category_scores_gemma":[0.0001693574,0.0001554634,0.0001964364,0.0001326634,0.00007345799,0.00001250599,0.0001592187,0.0001839647,0.000008596271],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003291311,"about_ca_system_score_gemma":0.0002451776,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002469271,"about_ca_topic_score_gemma":0.000005068755,"domain_scores_codex":[0.9987479,0.0000630936,0.0003811152,0.0002236455,0.000347698,0.0002365053],"domain_scores_gemma":[0.9987893,0.0000091659,0.000298941,0.0003396759,0.0002754139,0.0002874705],"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":[0.0002177855,0.0000515564,0.001092668,0.000004635318,0.0001240991,0.0001058595,0.00003914042,0.0001809175,0.993674,0.00002621482,0.00337112,0.001111999],"study_design_scores_gemma":[0.001574123,0.0003594595,0.0004216921,0.00003511736,0.00007074696,0.0001759669,0.0000666847,0.0003116086,0.9735537,0.002405008,0.02073007,0.0002958408],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9615371,0.003534006,0.03344251,0.0002809209,0.0002355364,0.00007467264,0.00002296717,0.000007043414,0.0008652293],"genre_scores_gemma":[0.9879825,0.00007505372,0.01095289,0.0004073908,0.0004216383,7.752611e-7,0.0000581163,0.00002658768,0.00007502091],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02644542,"threshold_uncertainty_score":0.6339612,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01495157936599893,"score_gpt":0.2651002878120652,"score_spread":0.2501487084460662,"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."}}