{"id":"W2161489324","doi":"10.1002/etc.560","title":"Understanding solution-state noncovalent interactions between xenobiotics and natural organic matter using 19F/1H heteronuclear saturation transfer difference nuclear magnetic resonance spectroscopy","year":2011,"lang":"en","type":"article","venue":"Environmental Toxicology and Chemistry","topic":"Lanthanide and Transition Metal Complexes","field":"Materials Science","cited_by":24,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"","keywords":"Heteronuclear molecule; Saturation (graph theory); Chemistry; Spectroscopy; Analytical Chemistry (journal); Nuclear magnetic resonance spectroscopy; Nuclear magnetic resonance; Physics; Stereochemistry; Environmental chemistry","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":[0.0001991098,0.000316666,0.0002282798,0.0001685798,0.0002049205,0.0003262718,0.0002671072,0.0004815425,0.0007385823],"category_scores_gemma":[0.0002320151,0.0001645026,0.0001738727,0.0001449074,0.0003564328,0.0005299043,0.0002160034,0.0005479405,0.0002017988],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003826753,"about_ca_system_score_gemma":0.0003079321,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001653469,"about_ca_topic_score_gemma":0.003340596,"domain_scores_codex":[0.9998796,0.00001206517,0.000004413825,0.00003767398,0.00004418704,0.00002203564],"domain_scores_gemma":[0.9998899,0.00004327502,0.00002344981,0.000007289258,0.00002461143,0.00001147982],"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":[0.0000137765,0.00001132794,0.0004555535,0.00005479122,0.000005813848,0.00001792982,0.00001692784,0.0005841537,0.9958094,0.0001805198,0.00003429381,0.002815543],"study_design_scores_gemma":[0.000004882149,0.00008669181,0.004288421,0.000003909215,0.00001083282,0.00007878946,0.00008114737,0.01360969,0.9793388,0.0004008558,0.002083594,0.0000122938],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9359955,0.002913318,0.05793982,0.0001895796,0.00002229349,0.0000732216,0.000302132,0.000182564,0.002381565],"genre_scores_gemma":[0.9529812,0.002768291,0.04235424,0.0002026056,0.00002072079,0.00007577075,0.0003938704,0.0000272088,0.001176057],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001653469,"threshold_uncertainty_score":0.003287733,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03997560416794678,"score_gpt":0.2219538655569779,"score_spread":0.1819782613890311,"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."}}