{"id":"W3160282635","doi":"","title":"Derivados de tiourea como receptores en sensores de Pb(II): descripción teórica y experimental","year":2021,"lang":"es","type":"article","venue":"Redalyc (Universidad Autónoma del Estado de México)","topic":"Analytical Chemistry and Sensors","field":"Chemical Engineering","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"McMaster University","funders":"","keywords":"Thiourea; Reactivity (psychology); Basis set; Atomic orbital; HOMO/LUMO; Ion; Physics; Molecular orbital; Density functional theory; Molecule; Chemistry; Physical chemistry; Computational chemistry; Quantum mechanics","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":[0.0003361608,0.000506977,0.000287656,0.0003615797,0.0002765803,0.0003063529,0.0006509623,0.0003888007,0.00231338],"category_scores_gemma":[0.0002985618,0.0003106893,0.0004505283,0.000542047,0.0002716051,0.0004103522,0.0002168517,0.0005037339,0.0006142354],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000346147,"about_ca_system_score_gemma":0.0002686198,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002994159,"about_ca_topic_score_gemma":0.004118913,"domain_scores_codex":[0.999862,0.00002367829,0.000007182251,0.00002574856,0.00005962015,0.00002186169],"domain_scores_gemma":[0.9999255,0.00002943705,0.00001619417,0.00000888214,0.00001593037,0.000004021671],"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":[0.0001034024,0.00008797179,0.0005634865,0.001959127,0.00003289492,0.0003768228,0.000337476,0.003033867,0.9697169,0.002008858,0.000646112,0.0211331],"study_design_scores_gemma":[0.00001038157,0.0002916611,0.001256729,0.00005523215,0.00004084325,0.0003593271,0.0001456755,0.003654203,0.9756139,0.000204347,0.01833177,0.0000360839],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8599041,0.04024324,0.08138205,0.0003963145,0.00019596,0.0003616115,0.001485576,0.0004731229,0.01555808],"genre_scores_gemma":[0.8798217,0.0544293,0.04646395,0.0003286147,0.00009000565,0.0003576937,0.001133282,0.00009787861,0.01727755],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002994159,"threshold_uncertainty_score":0.007739007,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01258921647468091,"score_gpt":0.2390745417147397,"score_spread":0.2264853252400587,"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."}}