{"id":"W4412842891","doi":"10.1021/acscentsci.5c00755","title":"The Martini 3 Lipidome: Expanded and Refined Parameters Improve Lipid Phase Behavior","year":2025,"lang":"en","type":"article","venue":"ACS Central Science","topic":"Lipid Membrane Structure and Behavior","field":"Biochemistry, Genetics and Molecular Biology","cited_by":41,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"Laboratory Directed Research and Development; National Cancer Institute; Fundação para a Ciência e a Tecnologia; European Research Council; Natural Sciences and Engineering Research Council of Canada; Grand Équipement National De Calcul Intensif; Novo Nordisk Fonden; Canadian Institutes of Health Research; Danmarks Frie Forskningsfond; H2020 European Research Council; Alliance de recherche numérique du Canada; Centre National de la Recherche Scientifique; Lawrence Livermore National Laboratory; Novo Nordisk; China Scholarship Council; Aarhus Universitets Forskningsfond; École Normale Supérieure de Lyon; U.S. Department of Energy; European Commission; National Institutes of Health; Canada Research Chairs; Government of Canada; Deutsche Forschungsgemeinschaft","keywords":"Lipidome; Phase (matter); Lipidomics; Chemistry; Computer science; Biochemistry","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002535192,0.0001315031,0.00009677431,0.00003073092,0.0004230503,0.0001353411,0.0003812362,0.00006934921,0.000004065925],"category_scores_gemma":[0.0001737528,0.00008637514,0.00004394991,0.0002364741,0.0006847617,0.00001275696,0.0001914268,0.00008884735,0.00000141613],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001782741,"about_ca_system_score_gemma":0.0001795003,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001750524,"about_ca_topic_score_gemma":0.00002432257,"domain_scores_codex":[0.9987156,0.00002456657,0.0001707095,0.0004273342,0.0001648043,0.0004970258],"domain_scores_gemma":[0.9993458,0.00001652815,0.00005483331,0.0003814291,0.00006414532,0.000137263],"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":[0.00004553032,0.0000375574,0.001516923,0.000003342457,0.000004612773,9.933514e-7,0.00002033495,3.176594e-7,0.9334304,0.00009291949,0.0005264253,0.06432068],"study_design_scores_gemma":[0.0007979887,0.0001639359,0.01027351,0.000005386361,0.00003734181,0.000006726971,0.00005341027,0.00001399395,0.9682847,0.00001139874,0.02022713,0.0001244816],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9975632,0.000108945,0.00002873091,0.0004900245,0.001246933,0.0002747129,0.00001097361,0.00001220672,0.0002642217],"genre_scores_gemma":[0.9979647,0.0001477747,0.0001787232,0.0004224176,0.0001818306,0.00003924835,0.00001056051,0.000005473957,0.00104927],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.06419619,"threshold_uncertainty_score":0.3522276,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007060072934107377,"score_gpt":0.2837768622260576,"score_spread":0.2767167892919503,"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."}}