{"id":"W2165079093","doi":"10.1002/masy.200651117","title":"Estimation of Free Radical Polymerization Rate Coefficients Using Computational Chemistry","year":2006,"lang":"en","type":"article","venue":"Macromolecular Symposia","topic":"Free Radicals and Antioxidants","field":"Chemistry","cited_by":24,"is_retracted":false,"has_abstract":true,"ca_institutions":"Hutchinson (Canada); Queen's University","funders":"Division of Materials Research","keywords":"Polymerization; Radical polymerization; Copolymer; Monomer; Polymer chemistry; Thermodynamics; Bulk polymerization; Styrene; Methacrylate; Chemistry; Materials science; Organic chemistry; Polymer; Physics","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":[0.001127261,0.0004879448,0.0004957528,0.0005771116,0.0003280218,0.0005377208,0.0006007991,0.0004715578,0.001244123],"category_scores_gemma":[0.006718278,0.0003424545,0.0003854375,0.0003013354,0.0002628365,0.0006713194,0.0002604895,0.0006883587,0.0002031742],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003561552,"about_ca_system_score_gemma":0.0008231755,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002067025,"about_ca_topic_score_gemma":0.001213819,"domain_scores_codex":[0.9998205,0.00008013672,0.000008997386,0.00002174314,0.00005370595,0.00001488025],"domain_scores_gemma":[0.996778,0.002516038,0.00016058,0.0002151221,0.0002902893,0.00004005475],"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":[0.00007420918,0.00004764435,0.001517817,0.00007676071,0.00003908846,0.00002457372,0.00002631748,0.9781622,0.007468021,0.003374109,0.0001754331,0.009013981],"study_design_scores_gemma":[0.000005770644,0.000008417516,0.00014838,0.000002630946,0.000003224418,0.000003021703,0.000001798226,0.9961529,0.003268949,0.0003121315,0.00008929115,0.000003481736],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.6578429,0.0002828217,0.3355497,0.0002325386,0.00005637624,0.0001063723,0.0003753663,0.00124424,0.004309719],"genre_scores_gemma":[0.9408449,0.00009926701,0.05798276,0.00001785698,0.000007160904,0.000141331,0.0002299654,0.000104353,0.0005723888],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002067025,"threshold_uncertainty_score":0.005961597,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.004711687661612501,"score_gpt":0.2166855558539899,"score_spread":0.2119738681923774,"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."}}