{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004507401,0.0006776555,0.0006901069,0.0004501855,0.0004902303,0.0007100442,0.001383579,0.001138586,0.003966625],"category_scores_gemma":[0.001556772,0.0003262818,0.0008478258,0.0004100404,0.000397233,0.001215119,0.0010097,0.001242286,0.0008635959],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008168058,"about_ca_system_score_gemma":0.001293557,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0051104,"about_ca_topic_score_gemma":0.005979253,"domain_scores_codex":[0.9998617,0.00003936796,0.000005307194,0.00001568326,0.00004696036,0.00003084939],"domain_scores_gemma":[0.9997409,0.00009466871,0.00002500179,0.00004785312,0.00004097015,0.0000505773],"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":[0.0003452352,0.0002047693,0.002874434,0.0002545155,0.0001190567,0.0002716003,0.0001726721,0.8900675,0.02776683,0.04941965,0.008363932,0.02013991],"study_design_scores_gemma":[0.00004988438,0.00004907288,0.0003335403,0.0000207906,0.00001794336,0.00002672694,0.00001836952,0.9819311,0.00377414,0.007597111,0.006155212,0.00002617467],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7056352,0.001715583,0.2378553,0.003099493,0.0004761967,0.0002118075,0.005002953,0.004812582,0.0411909],"genre_scores_gemma":[0.8782895,0.001233165,0.1079437,0.0007485353,0.00009182948,0.0005836884,0.003847864,0.001706109,0.005555686],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0051104,"threshold_uncertainty_score":0.01326972,"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."}}