{"id":"W4394614957","doi":"10.1039/d4dt00395k","title":"Computational study of core modified dipyriamethyrin for the competitive complexation of Am<sup>3+</sup>/Cm<sup>3+</sup> from their trichlorides","year":2024,"lang":"en","type":"article","venue":"Dalton Transactions","topic":"Radioactive element chemistry and processing","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Manitoba","funders":"Science and Engineering Research Board; Natural Sciences and Engineering Research Council of Canada","keywords":"Actinide; Chemistry; Radiochemistry; Core (optical fiber); Process (computing); Combinatorial chemistry; Nuclear chemistry; Materials science; Computer science","routes":{"ca_aff":true,"ca_fund":true,"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":[0.000328055,0.0006823897,0.001154191,0.0003259364,0.0008991907,0.0007378616,0.001180594,0.001535099,0.006747227],"category_scores_gemma":[0.000753364,0.0003980391,0.0006506239,0.0004829706,0.0004596234,0.0006357806,0.0005331526,0.0009944869,0.0003827218],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001067904,"about_ca_system_score_gemma":0.001396813,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01711738,"about_ca_topic_score_gemma":0.0174785,"domain_scores_codex":[0.999882,0.00002541838,0.000002634968,0.00001813527,0.00002277268,0.00004910481],"domain_scores_gemma":[0.9996494,0.0002264181,0.0000215685,0.00001487229,0.00005050153,0.00003718228],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0004218226,0.0002453812,0.001705157,0.0005236989,0.0001307853,0.0006436872,0.00007840283,0.9671327,0.005476591,0.01280567,0.005007188,0.005828991],"study_design_scores_gemma":[0.0001104895,0.0001201105,0.0004470059,0.00001537462,0.00003350088,0.00003431441,0.00009231533,0.9953779,0.001107168,0.001372972,0.001279024,0.000009949425],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9297141,0.002786677,0.02131769,0.001660254,0.0002099279,0.000107688,0.001460082,0.000392023,0.04235158],"genre_scores_gemma":[0.9786259,0.000748969,0.0140336,0.0003602507,0.00003587286,0.000226206,0.0008379447,0.0001527001,0.004978688],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01711738,"threshold_uncertainty_score":0.0340355,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04564895295274833,"score_gpt":0.2936836536782106,"score_spread":0.2480347007254623,"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."}}