{"id":"W3123671784","doi":"10.1002/mats.202000079","title":"Predicting Polyethylene Molecular Weight and Composition Distributions Obtained Using a Multi‐Site Catalyst in a Gas‐Phase Lab‐Scale Reactor","year":2021,"lang":"en","type":"article","venue":"Macromolecular Theory and Simulations","topic":"Polymer crystallization and properties","field":"Materials Science","cited_by":12,"is_retracted":false,"has_abstract":true,"ca_institutions":"Queen's University","funders":"Exxon Mobil Corporation","keywords":"Comonomer; Copolymer; Molar mass distribution; Gel permeation chromatography; Gas chromatography; Polyethylene; Chemistry; Phase (matter); Elution; Biological system; Materials science; Chromatography; Chemical engineering; Analytical Chemistry (journal); Polymer; Organic chemistry; Engineering","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003056847,0.0005765735,0.000513767,0.0002437234,0.0003197808,0.0004379376,0.000521693,0.0007887197,0.0007417281],"category_scores_gemma":[0.0004863319,0.0003447038,0.0004926409,0.0002287918,0.0002831954,0.0004666794,0.0001759109,0.0006390857,0.000201462],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001164121,"about_ca_system_score_gemma":0.0007470104,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0131018,"about_ca_topic_score_gemma":0.008126945,"domain_scores_codex":[0.9999385,0.00001131853,0.000003112024,0.00001977859,0.00001743568,0.000009896803],"domain_scores_gemma":[0.9997477,0.0001669577,0.00001980589,0.00001995049,0.00003063725,0.00001502637],"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":[0.00005814609,0.00006529578,0.001311124,0.00001686807,0.00001008846,0.00002442502,0.00001090912,0.9843061,0.01210901,0.0001291774,0.00004191479,0.001916921],"study_design_scores_gemma":[0.000004301432,0.00001678006,0.0002237574,4.706586e-7,0.00000199431,0.000001880949,0.000001928586,0.9944945,0.005192386,0.00002752839,0.00003218389,0.000002263723],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9664648,0.000054557,0.03184468,0.00006176755,0.000006814102,0.0000365821,0.0002072745,0.0002346341,0.001088859],"genre_scores_gemma":[0.9935926,0.00003885994,0.005514862,0.000006989512,0.000001251635,0.00004441358,0.0001081436,0.00002162902,0.0006711992],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0131018,"threshold_uncertainty_score":0.02605104,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01213354701141908,"score_gpt":0.2662520108763846,"score_spread":0.2541184638649655,"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."}}