{"id":"W4226085515","doi":"10.1002/mats.202200016","title":"A Comparative Assessment of Human Serum Proteins Interactions with Hemodialysis Clinical Membranes using Molecular Dynamics Simulation","year":2022,"lang":"en","type":"article","venue":"Macromolecular Theory and Simulations","topic":"biodegradable polymer synthesis and properties","field":"Materials Science","cited_by":12,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Saskatchewan","funders":"","keywords":"Cellulose triacetate; Molecular dynamics; Chemistry; Polymer; van der Waals force; Population; Biocompatibility; Membrane; Polyacrylonitrile; Methacrylate; Polymer chemistry; Materials science; Organic chemistry; Monomer; Computational chemistry; Molecule; Biochemistry; Medicine","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0009234782,0.0001609127,0.0003599131,0.0001173327,0.0009302446,0.00006467167,0.0001457781,0.0000359331,0.0006065484],"category_scores_gemma":[0.00002856239,0.0001375132,0.00009842645,0.0002338463,0.000228878,0.0001448602,0.000139856,0.0001728068,7.149216e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00007458459,"about_ca_system_score_gemma":0.0001062829,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00006861014,"about_ca_topic_score_gemma":0.00006073451,"domain_scores_codex":[0.997378,0.001416105,0.0004381133,0.0003124596,0.0002741681,0.0001811369],"domain_scores_gemma":[0.9989365,0.0003549944,0.0002506537,0.0002980307,0.00009681026,0.00006300332],"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":[0.0001917032,0.0003645223,0.003242275,0.00004556325,0.0001688053,0.00001216218,0.001319552,0.5640274,0.4106334,0.01933799,2.918698e-7,0.0006562995],"study_design_scores_gemma":[0.0005397461,0.0002915818,0.0008440874,0.00003079965,0.0002784207,0.00001276202,0.001138976,0.849722,0.1437618,0.003056457,0.00005308503,0.0002702661],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9088717,0.0002695761,0.0899775,0.00004874315,0.00005515539,0.0003085068,0.0001754257,0.00002948806,0.0002638786],"genre_scores_gemma":[0.9968973,8.883719e-7,0.002868519,0.00005499507,0.00001359185,0.00003300119,0.00004392556,0.00001780951,0.00006997823],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.2856946,"threshold_uncertainty_score":0.7154783,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04642513353114004,"score_gpt":0.3572066212789959,"score_spread":0.3107814877478559,"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."}}