{"id":"W4411202703","doi":"10.1039/d5ce00376h","title":"Chiral resolution of copper aspartate under reaction–diffusion: synergy of experiment and simulation","year":2025,"lang":"en","type":"article","venue":"CrystEngComm","topic":"Crystallization and Solubility Studies","field":"Materials Science","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"Institut National de la Recherche Scientifique; McGill University; Concordia University","funders":"Fonds Québécois de la Recherche sur la Nature et les Technologies; Concordia University; Centre québécois sur les matériaux fonctionnels; Natural Sciences and Engineering Research Council of Canada; American University of Beirut","keywords":"Copper; Resolution (logic); Diffusion; Chemistry; Materials science; Crystallography; Combinatorial chemistry; Computer science; Physics; Thermodynamics; Organic chemistry; Artificial intelligence","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":[0.0005449828,0.0005455696,0.0008598648,0.0002765779,0.0005001566,0.0008470159,0.001110009,0.00106131,0.001457933],"category_scores_gemma":[0.001303005,0.0003911194,0.00041433,0.0004286959,0.0009973862,0.001444784,0.0005286912,0.00109273,0.0001800014],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007901363,"about_ca_system_score_gemma":0.001047957,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.009633925,"about_ca_topic_score_gemma":0.003197513,"domain_scores_codex":[0.9998208,0.00003336655,0.000008606437,0.00003460815,0.00004832502,0.00005441044],"domain_scores_gemma":[0.9993964,0.0003555005,0.00005525236,0.000063025,0.0000820829,0.0000476801],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.00237748,0.0006978052,0.003757992,0.001314092,0.0001649207,0.001264903,0.000585945,0.7343215,0.1919706,0.04224666,0.005764247,0.01553379],"study_design_scores_gemma":[0.0001477582,0.0001059221,0.0002302108,0.00001375701,0.00001180062,0.00002183265,0.00003405529,0.9772388,0.01996179,0.001561925,0.0006486895,0.00002351893],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9697114,0.001130262,0.01820528,0.0008605556,0.0001433235,0.00005721902,0.0005735413,0.0004406497,0.008877605],"genre_scores_gemma":[0.9926336,0.0005261577,0.00575011,0.00007995911,0.00002949985,0.00003189,0.0002882065,0.00005726509,0.0006032058],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.009633925,"threshold_uncertainty_score":0.01915568,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02473537583095232,"score_gpt":0.3025963883040966,"score_spread":0.2778610124731443,"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."}}