{"id":"W4394478147","doi":"10.6084/m9.figshare.19106990","title":"Sample information and NMR assignments","year":2022,"lang":"en","type":"dataset","venue":"Figshare","topic":"Molecular spectroscopy and chirality","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"","keywords":"Sample (material); Information retrieval; Computer science; Chemistry; Chromatography","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":false,"about_ca":true,"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":[0.00341551,0.003155282,0.003225451,0.003651138,0.001969123,0.003206974,0.003672502,0.003748268,0.1035925],"category_scores_gemma":[0.01019723,0.0009756767,0.001458216,0.007257186,0.0009514545,0.00181143,0.002147682,0.003078403,0.1145981],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001335033,"about_ca_system_score_gemma":0.0040253,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004845764,"about_ca_topic_score_gemma":0.009053485,"domain_scores_codex":[0.9977072,0.000474716,0.0002704246,0.0009367127,0.000387116,0.0002237491],"domain_scores_gemma":[0.9952683,0.001528323,0.0004304188,0.001559261,0.0007854241,0.0004282144],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"not_applicable","study_design_gemma":"not_applicable","study_design_scores_codex":[0.001162674,0.0001508954,0.001773139,0.005870386,0.0002031364,0.0001550933,0.00007528072,0.001007076,0.005643873,0.001476042,0.9708439,0.01163859],"study_design_scores_gemma":[0.0007359418,0.0001073241,0.002947203,0.000480406,0.0002028119,0.0002029224,0.00006156261,0.0004583891,0.002978572,0.004339666,0.9874092,0.00007600199],"study_design_candidate":"not_applicable","study_design_consensus":"not_applicable","genre_codex":"dataset","genre_gemma":"dataset","genre_scores_codex":[0.0003280646,0.0002395306,0.0005426119,0.00004636322,0.00003807643,0.00005383908,0.9973084,0.0005410215,0.0009021841],"genre_scores_gemma":[0.0005581923,0.0001375835,0.001494843,0.0000924023,0.00001053149,0.0003321751,0.996615,0.0001667445,0.0005926397],"genre_candidate":"dataset","genre_consensus":"dataset","teacher_disagreement_score":0.1035925,"threshold_uncertainty_score":0.3465515,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.017406526812482,"score_gpt":0.2588902252359904,"score_spread":0.2414836984235084,"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."}}