{"id":"W4393226371","doi":"10.1039/d4an00320a","title":"Conformational fingerprinting with Raman spectroscopy reveals protein structure as a translational biomarker of muscle pathology","year":2024,"lang":"en","type":"article","venue":"The Analyst","topic":"thermodynamics and calorimetric analyses","field":"Chemistry","cited_by":5,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"NIHR Oxford Biomedical Research Centre; Wellcome Trust Centre for Mitochondrial Research; NIHR Sheffield Biomedical Research Centre; NIHR Newcastle Biomedical Research Centre; Medical Research Council; Sheffield Teaching Hospitals NHS Foundation Trust; Wellcome Trust; Academy of Medical Sciences; Alzheimer Society; National Institute for Health and Care Research; Department of Health and Social Care","keywords":"Amyotrophic lateral sclerosis; Duchenne muscular dystrophy; Myopathy; Biomarker; Pathology; Skeletal muscle; Raman spectroscopy; Muscle disorder; Medicine; Chemistry; Computational biology; Bioinformatics; Biology; Biochemistry; Disease; Anatomy; Internal medicine","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0006028877,0.0004332817,0.0001448338,0.0009087746,0.0001848163,0.0002677893,0.0002036239,0.0005069287,0.0008056524],"category_scores_gemma":[0.0007642786,0.0001756545,0.0001817107,0.0003357911,0.0003812576,0.0002207113,0.0002609441,0.0004090503,0.0002135367],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001109009,"about_ca_system_score_gemma":0.0001356784,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003601458,"about_ca_topic_score_gemma":0.0006928421,"domain_scores_codex":[0.9996964,0.00008416295,0.00001141083,0.00007634384,0.0001080727,0.00002358431],"domain_scores_gemma":[0.9996927,0.0001239631,0.00007462322,0.00003221627,0.0000503459,0.00002631563],"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":[0.00005805527,0.00001648998,0.001244241,0.00002326645,0.00001065433,0.00001386607,0.00003181946,0.0001004215,0.9951814,0.00006123408,0.00002738918,0.003231159],"study_design_scores_gemma":[0.000008421999,0.0004494889,0.04165621,0.00001230805,0.00004339305,0.0007460244,0.0001169353,0.005005057,0.9508153,0.000372349,0.0007498065,0.00002465496],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9555585,0.001773825,0.04014751,0.0001603057,0.0000383073,0.00004583376,0.0003841253,0.0001805302,0.001711171],"genre_scores_gemma":[0.9796842,0.000807888,0.01792998,0.0001025893,0.00001981385,0.00004085925,0.0001981074,0.00002866633,0.001187856],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0009087746,"threshold_uncertainty_score":0.003188431,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0090229925166537,"score_gpt":0.2513490952746285,"score_spread":0.2423261027579748,"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."}}