{"id":"W2559125059","doi":"10.1255/ejms.1440","title":"Metal Ion Hydrocarbon Bidentate Bonding in Alkyl Acetates, Methyl Alkanoates, Alcohols and 1-Alkenes: A Comparative Study","year":2016,"lang":"en","type":"article","venue":"European Journal of Mass Spectrometry","topic":"Crystallography and molecular interactions","field":"Chemistry","cited_by":6,"is_retracted":false,"has_abstract":true,"ca_institutions":"McMaster University; University of Ottawa","funders":"","keywords":"Chemistry; Hydrocarbon; Alkyl; Organic chemistry; Denticity; Metal; Ion; Medicinal 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":[0.00009106218,0.000205878,0.0001577422,0.0002473293,0.0001208782,0.0001858649,0.0002018748,0.0001986835,0.001676132],"category_scores_gemma":[0.000128749,0.0001142038,0.0001062185,0.0001439018,0.0001330706,0.0001997295,0.0001553422,0.000117466,0.0003774185],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001154523,"about_ca_system_score_gemma":0.00007219215,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004156193,"about_ca_topic_score_gemma":0.0006078494,"domain_scores_codex":[0.9999197,0.0000112197,0.000003598757,0.00001786636,0.00002447771,0.00002321737],"domain_scores_gemma":[0.9999415,0.00001521816,0.00001641629,0.000003541852,0.00001394541,0.000009345689],"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":[0.0001000481,0.000008808695,0.0004323283,0.0000618066,0.000006677818,0.00004534226,0.00004182474,0.0001386611,0.997054,0.00006946551,0.00001775322,0.002023228],"study_design_scores_gemma":[0.000004922987,0.0002128593,0.004212933,0.000004988252,0.00001181218,0.000205506,0.0001029941,0.001173913,0.9924609,0.00005206819,0.001551191,0.00000578935],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9968232,0.0008852988,0.0009103318,0.00001599245,0.000003759772,0.000007214388,0.0000622732,0.00001666619,0.001275206],"genre_scores_gemma":[0.9958888,0.0006663015,0.0009905157,0.00001478298,0.000003711859,0.000006726002,0.0001306419,0.000008637445,0.002289944],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001676132,"threshold_uncertainty_score":0.005607247,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02297640533588066,"score_gpt":0.2758593985812619,"score_spread":0.2528829932453812,"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."}}