{"id":"W4401704592","doi":"10.3390/polym16162341","title":"Design and Optimization of Molecularly Imprinted Polymer Targeting Epinephrine Molecule: A Theoretical Approach","year":2024,"lang":"en","type":"article","venue":"Polymers","topic":"Analytical chemistry methods development","field":"Chemistry","cited_by":15,"is_retracted":false,"has_abstract":true,"ca_institutions":"MacEwan University; University of Alberta","funders":"Center for High Performance Computing","keywords":"Molecularly imprinted polymer; Ethylene glycol dimethacrylate; Radius of gyration; Monomer; Materials science; Rational design; Polymer; Density functional theory; Molecule; Chemical engineering; Chemistry; Computational chemistry; Methacrylic acid; Organic chemistry; Nanotechnology; Selectivity; Composite material","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":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0002868311,0.0002027996,0.000227615,0.00006099062,0.00003344022,0.00004278687,0.0001407565,0.0001297329,0.001615713],"category_scores_gemma":[0.00018484,0.000186386,0.00007187165,0.000242042,0.0002780789,0.00005173196,0.0001088147,0.0001972987,0.000002539484],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004232787,"about_ca_system_score_gemma":0.00007856097,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000008049556,"about_ca_topic_score_gemma":5.988705e-9,"domain_scores_codex":[0.9986919,0.00005265068,0.0003385698,0.000397782,0.0002436026,0.0002755633],"domain_scores_gemma":[0.9993803,0.0001975422,0.00005218184,0.0001862298,0.00003901752,0.0001447215],"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":[0.00006013047,0.00004950892,0.0000177023,0.0004801,0.000199751,0.0000255237,0.0002233493,0.0006835493,0.981599,0.01336579,0.00001453393,0.003281065],"study_design_scores_gemma":[0.000131594,0.000007177323,7.95064e-7,0.00004561533,0.00005538141,0.00001728315,0.00008303726,0.3375395,0.6618527,0.0001083336,0.00001342036,0.000145186],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.002043372,0.002948459,0.9839331,0.0001501353,0.00002181532,0.0000590983,0.000004820091,0.000107864,0.01073134],"genre_scores_gemma":[0.540222,0.0000566038,0.4589167,0.00004768987,0.00003908329,0.00002088593,0.00003765887,0.00004951354,0.0006098051],"genre_candidate":"methods","genre_consensus":null,"teacher_disagreement_score":0.5381787,"threshold_uncertainty_score":0.999297,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01252342433136034,"score_gpt":0.2565849987432762,"score_spread":0.2440615744119159,"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."}}