{"id":"W1595650229","doi":"10.5772/33960","title":"Application of Chemometrics to the Interpretation of Analytical Separations Data","year":2012,"lang":"en","type":"book-chapter","venue":"InTech eBooks","topic":"Spectroscopy and Chemometric Analyses","field":"Chemistry","cited_by":8,"is_retracted":false,"has_abstract":true,"ca_institutions":"World Wildlife Fund Canada","funders":"","keywords":"Chemometrics; Interpretation (philosophy); Computer science; Machine learning","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":[0.003456275,0.002001388,0.002059979,0.005666941,0.000498988,0.003116599,0.001973506,0.001395647,0.004225476],"category_scores_gemma":[0.008053725,0.0008915951,0.001637739,0.009400486,0.002072725,0.002194054,0.002186517,0.004377259,0.00412861],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001042335,"about_ca_system_score_gemma":0.001049534,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007903938,"about_ca_topic_score_gemma":0.0006712929,"domain_scores_codex":[0.9959161,0.001062198,0.0002330419,0.0004607084,0.002247677,0.00008036441],"domain_scores_gemma":[0.9973832,0.00187786,0.0001267293,0.0002544353,0.0003080432,0.00004968612],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"design_other","study_design_gemma":"not_applicable","study_design_scores_codex":[0.00007088872,0.0001466813,0.0008230375,0.002946841,0.000441403,0.0002803835,0.0003248453,0.04494732,0.008940176,0.07862295,0.03921677,0.8232386],"study_design_scores_gemma":[0.00003183945,0.0001016293,0.002449172,0.0006038886,0.0001019812,0.0009216091,0.0001207319,0.2923648,0.0103515,0.5156573,0.177128,0.000167565],"study_design_candidate":"not_applicable","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"methods","genre_scores_codex":[0.002778449,0.05126663,0.9284898,0.002107257,0.000617848,0.00009970839,0.0008218038,0.002509549,0.01130888],"genre_scores_gemma":[0.04868738,0.0628284,0.8764968,0.0009839264,0.001497961,0.0003213496,0.001778546,0.0006297693,0.00677579],"genre_candidate":"methods","genre_consensus":"methods","teacher_disagreement_score":0.005666941,"threshold_uncertainty_score":0.01827878,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.05012095603688533,"score_gpt":0.33693525210696,"score_spread":0.2868142960700747,"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."}}